 Entering Gaussian System, Link 0=g16
 Input=06_betapinene_STD_wB97XD-def2SVPDr.in
 Output=06_betapinene_STD_wB97XD-def2SVPDr.log
 AtFile(1): /user/pierpa/basis_sets/def2SVPD.gbs
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            D    4   1.00
                 19.240334928            0.27039082144D-01
                  5.1178995899           0.13803684743
                  1.6554278827           0.34869086403
                  0.54016355610          0.48594185717
            D    1   1.00
                  0.16211214518           .34374449689
            F    1   1.00
                  0.3450000              1.0000000
            ****
            -Ti     0
            S    6   1.00
              42961.5121850              0.39127635355D-02
               6450.9759169              0.29969820489D-01
               1467.7210915              0.14836352707
                414.20997355             0.51347285324
                134.48715840             1.0335365483
                 46.122209796            0.77854233930
            S    3   1.00
                 89.447762543           -0.28385401259
                 10.223346060            1.6772785333
                  4.1353774271           1.2411928456
            S    3   1.00
                  6.7896181452          -0.78399994518D-02
                  1.1106730691           0.25495493019D-01
                  0.47565975578          0.16061172892D-01
            S    1   1.00
                  0.65986956934D-01      1.0000000
            S    1   1.00
                  0.25210342250D-01      1.0000000
            P    5   1.00
                522.03684782             0.19754179642D-01
                122.68649489             0.14460677619
                 38.572903611            0.54669004165
                 13.672169319            1.0531647540
                  5.0118529359           0.69111213363
            P    3   1.00
                  2.4131928282           0.75803437136
                  0.93252270050          1.3036241399
                  0.35429058390          0.53638653300
            P    1   1.00
                  0.1015610              1.0000000
            P    1   1.00
                  0.35788253200D-01      1.0000000
            D    4   1.00
                 23.465125957            0.26536380115D-01
                  6.3332593832           0.13796453963
                  2.0766489946           0.35312644228
                  0.69027361954          0.48647124166
            D    1   1.00
                  0.21088738554           .33026314258
            F    1   1.00
                  0.5620000              1.0000000
            ****
            -V     0
            S    6   1.00
              47160.3760600              0.14498688908D-02
               7081.4110871              0.11106435251D-01
               1611.1621223              0.55005423585D-01
                454.72940551             0.19060252591
                147.71321208             0.38435022957
                 50.699538950            0.29095546792
            S    3   1.00
                 98.262492669           -0.10942337856
                 11.294293099            0.64539490399
                  4.5853360105           0.47117880777
            S    3   1.00
                  7.6359689588          -0.22454949054
                  1.2539836689           0.72594852764
                  0.53271935387          0.45560582748
            S    1   1.00
                  0.72246239566D-01      1.0000000
            S    1   1.00
                  0.27358087448D-01      1.0000000
            P    5   1.00
                580.55044988             0.97315110917D-02
                136.52341127             0.71531241137D-01
                 42.983958820            0.27197688414
                 15.282798763            0.52618988893
                  5.6202495154           0.34452533498
            P    3   1.00
                  2.7485386415           0.34040396496
                  1.0618550073           0.57983996120
                  0.40235518645          0.23911643083
            P    1   1.00
                  0.1112480              1.0000000
            P    1   1.00
                  0.35000888460D-01      1.0000000
            D    4   1.00
                 27.358434017            0.26641927050D-01
                  7.4540604253           0.13995311726
                  2.4633917847           0.35751066639
                  0.82480925277          0.48488354148
            D    1   1.00
                  0.25257904742           .32332844995
            F    1   1.00
                  0.8310000              1.0000000
            ****
            -Cr     0
            S    6   1.00
              51528.0863490              0.14405823106D-02
               7737.2103487              0.11036202287D-01
               1760.3748470              0.54676651806D-01
                496.87706544             0.18965038103
                161.46520598             0.38295412850
                 55.466352268            0.29090050668
            S    3   1.00
                107.54732999            -0.10932281100
                 12.408671897            0.64472599471
                  5.0423628826           0.46262712560
            S    3   1.00
                  8.5461640165          -0.22711013286
                  1.3900441221           0.73301527591
                  0.56066602876          0.44225565433
            S    1   1.00
                  0.71483705972D-01      1.0000000
            S    1   1.00
                  0.28250687604D-01      1.0000000
            P    5   1.00
                640.48536096             0.96126715203D-02
                150.69711194             0.70889834655D-01
                 47.503755296            0.27065258990
                 16.934120165            0.52437343414
                  6.2409680590           0.34107994714
            P    3   1.00
                  3.0885463206           0.33973986903
                  1.1791047769           0.57272062927
                  0.43369774432          0.24582728206
            P    1   1.00
                  0.1206750              1.0000000
            P    1   1.00
                  0.33978554488D-01      1.0000000
            D    4   1.00
                 27.559479426            0.30612488044D-01
                  7.4687020327           0.15593270944
                  2.4345903574           0.36984421276
                  0.78244754808          0.47071118077
            D    1   1.00
                  0.21995774311           .33941649889
            F    1   1.00
                  1.1470000              1.0000000
            ****
            -Mn     0
            S    6   1.00
              56137.0090370              0.14321304702D-02
               8429.2063943              0.10972509162D-01
               1917.8277233              0.54382468712D-01
                541.36230198             0.18884335129
                176.00069142             0.38198025054
                 60.500477010            0.29156772596
            S    3   1.00
                117.17282882            -0.10933661328
                 13.596973368            0.64305039431
                  5.5483996341           0.45848970584
            S    3   1.00
                  9.4662853530          -0.22538977259
                  1.5595006070           0.72307758657
                  0.65230205868          0.45300721536
            S    1   1.00
                  0.84003734475D-01      1.0000000
            S    1   1.00
                  0.31256098581D-01      1.0000000
            P    5   1.00
                706.00497535             0.95055518167D-02
                166.19728820             0.70356271142D-01
                 52.452061906            0.27005556982
                 18.746932862            0.52574344602
                  6.9282991622           0.34254033223
            P    3   1.00
                  3.4772204938           0.33994073736
                  1.3406906449           0.57203836254
                  0.50498803038          0.23847605831
            P    1   1.00
                  0.1276500              1.0000000
            P    1   1.00
                  0.36336999053D-01      1.0000000
            D    4   1.00
                 35.423264935            0.26985304111D-01
                  9.7814221451           0.14383458648
                  3.2673488767           0.36418958377
                  1.1026472189           0.48152670661
            D    1   1.00
                  0.33743205934           .31458754360
            F    1   1.00
                  1.3260000              1.0000000
            ****
            -Fe     0
            S    6   1.00
              60923.6406430              0.14302254466D-02
               9147.8893982              0.10958790038D-01
               2081.3505927              0.54332554248D-01
                587.55977067             0.18884995009
                191.09043990             0.38253069946
                 65.732730112            0.29308335984
            S    3   1.00
                127.25891928            -0.10964564925
                 14.830913010            0.64387631332
                  6.0653307408           0.45472347323
            S    3   1.00
                 10.449943710           -0.22539639952
                  1.7245228003           0.72164398156
                  0.71772177325          0.44985492922
            S    1   1.00
                  0.91449828308D-01      1.0000000
            S    1   1.00
                  0.33706691021D-01      1.0000000
            P    5   1.00
                773.43750995             0.94325735144D-02
                182.15149714             0.70029620575D-01
                 57.547272758            0.26993651996
                 20.614988935            0.52700011047
                  7.6348557890           0.34284148028
            P    3   1.00
                  3.8719327990           0.33974402988
                  1.4924724132           0.56842594005
                  0.56061284958          0.23649365839
            P    1   1.00
                  0.1349150              1.0000000
            P    1   1.00
                  0.36933633962D-01      1.0000000
            D    4   1.00
                 38.968133419            0.27879664382D-01
                 10.800067078            0.14858319982
                  3.6136457999           0.36905479496
                  1.2129967888           0.47745100883
            D    1   1.00
                  0.36524393170           .31418142304
            F    1   1.00
                  1.5980000              1.0000000
            ****
            -Co     0
            S    6   1.00
              65902.2082570              0.14284614936D-02
               9895.3896027              0.10946072783D-01
               2251.4305789              0.54285953890D-01
                635.61097084             0.18885179079
                206.78820681             0.38301634994
                 71.179242971            0.29443551266
            S    3   1.00
                137.77268040            -0.10990221736
                 16.118079243            0.64455537395
                  6.6030327710           0.45116787924
            S    3   1.00
                 11.479915788           -0.22593846910
                  1.8956426324           0.72231409008
                  0.78466232067          0.44903812296
            S    1   1.00
                  0.98425774432D-01      1.0000000
            S    1   1.00
                  0.35945741932D-01      1.0000000
            P    5   1.00
                843.64358575             0.93866097254D-02
                198.76386994             0.69880208716D-01
                 62.854963098            0.27037070345
                 22.562842280            0.52904786880
                  8.3713209127           0.34357029579
            P    3   1.00
                  4.2858719800           0.34027999036
                  1.6508041817           0.56693392384
                  0.61834231096          0.23617979783
            P    1   1.00
                  0.1413080              1.0000000
            P    1   1.00
                  0.37744197011D-01      1.0000000
            D    4   1.00
                 42.927867612            0.28487788365D-01
                 11.942533053            0.15206951283
                  4.0046495664           0.37310913999
                  1.3413193804           0.47549837676
            D    1   1.00
                  0.40015009743           .31346831424
            F    1   1.00
                  1.9030000              1.0000000
            ****
            -Ni     0
            S    6   1.00
              71074.8032110              0.14260386729D-02
              10672.0209410              0.10928236994D-01
               2428.1389007              0.54212626938D-01
                685.53595148             0.18874768902
                223.10072863             0.38324616985
                 76.842014042            0.29550637144
            S    3   1.00
                148.71122016            -0.11014443059
                 17.459154987            0.64521426988
                  7.1625280665           0.44797838103
            S    3   1.00
                 12.556137125           -0.22645403224
                  2.0735740488           0.72320959286
                  0.85382640602          0.44868026476
            S    1   1.00
                  0.10536766271          1.0000000
            S    1   1.00
                  0.38134087688D-01      1.0000000
            P    5   1.00
                916.73608662             0.93439635610D-02
                216.06139913             0.69737374902D-01
                 68.383914817            0.27073495012
                 24.593843952            0.53078301549
                  9.1392960204           0.34410229438
            P    3   1.00
                  4.7193371746           0.34076082016
                  1.8161849234           0.56580169611
                  0.67840750720          0.23616717361
            P    1   1.00
                  0.1465880              1.0000000
            P    1   1.00
                  0.38905548722D-01      1.0000000
            D    4   1.00
                 47.093832108            0.28982316948D-01
                 13.146463975            0.15494995950
                  4.4170548925           0.37633115111
                  1.4771565078           0.47365096014
            D    1   1.00
                  0.43735921792           .31247837833
            F    1   1.00
                  2.1740000              1.0000000
            ****
            -Cu     0
            S    6   1.00
              76381.3480560              0.14336079896D-02
              11468.7774990              0.10986749865D-01
               2609.4246495              0.54513652465D-01
                736.75033098             0.18990128258
                239.82419958             0.38581959211
                 82.656829252            0.29790607498
            S    3   1.00
                160.13544196            -0.11146778567
                 18.834177695            0.65349301031
                  7.7176595741           0.44770534421
            S    3   1.00
                 13.710846717           -0.22870911122
                  2.2349895670           0.73464423031
                  0.87818360069          0.43273070874
            S    1   1.00
                  0.87187458064D-01      1.0000000
            S    1   1.00
                  0.32969114665D-01      1.0000000
            P    5   1.00
                991.24075782             0.93878498798D-02
                233.69376116             0.70208282458D-01
                 74.020930927            0.27323522220
                 26.664967447            0.53580792728
                  9.9192087478           0.34575794906
            P    3   1.00
                  5.1519553926           0.34229108083
                  1.9638205828           0.56456592484
                  0.71560097037          0.24078584318
            P    1   1.00
                  0.1550650              1.0000000
            P    1   1.00
                  0.38734214974D-01      1.0000000
            D    4   1.00
                 47.335049590            0.32375547758D-01
                 13.161666077            0.16810218684
                  4.3693777244           0.38477707982
                  1.4132925109           0.46147880178
            D    1   1.00
                  0.38878001452           .32388873258
            F    1   1.00
                  2.2330000              1.0000000
            ****
            -Zn     0
            S    6   1.00
              82000.7116290              0.14210764000D-02
              12312.4717770              0.10891499487D-01
               2801.3944193              0.54057188059D-01
                790.99424302             0.18847463904
                257.56551079             0.38346549346
                 88.814933400            0.29723794197
            S    3   1.00
                171.86353716            -0.11051849523
                 20.302534785            0.64607716984
                  8.3464123068           0.44220117322
            S    3   1.00
                 14.847536940           -0.22705309278
                  2.4495029507           0.72433217935
                  0.99845821824          0.44836495592
            S    1   1.00
                  0.11891307937          1.0000000
            S    1   1.00
                  0.42297428760D-01      1.0000000
            P    5   1.00
               1071.5185372              0.92767797235D-02
                252.69712152             0.69541149434D-01
                 80.100829126            0.27156772564
                 28.903393172            0.53401355573
                 10.768899879            0.34501323446
            P    3   1.00
                  5.6446212530           0.34129600164
                  2.1678291347           0.56390521973
                  0.80540898341          0.23676109735
            P    1   1.00
                  0.1624550              1.0000000
            P    1   1.00
                  0.42022716037D-01      1.0000000
            D    4   1.00
                 56.088939191            0.29588869140D-01
                 15.751908917            0.158725714045
                  5.3115812367           0.379762291591
                  1.7737904917           0.468989591719
            D    1   1.00
                  0.51975583665           .309071490776
            F    1   1.00
                  2.6140000              1.0000000
            ****
            -Ga     0
            S    6   1.00
              87842.1262960              0.14271588798D-02
              13189.4964020              0.10938894097D-01
               3000.9482141              0.54308200127D-01
                847.38425966             0.18951055983
                276.00980642             0.38615185918
                 95.216672071            0.30051082719
            S    3   1.00
                184.00703968            -0.11124461963
                 21.827051433            0.64831322918
                  9.0026963761           0.44358383594
            S    3   1.00
                 16.033176938           -0.23014299555
                  2.6707724878           0.72946861516
                  1.1252834170           0.46214976951
            S    1   1.00
                  0.15967608829          1.0000000
            S    1   1.00
                  0.57643044753D-01      1.0000000
            S    1   1.00
                  0.31819812628D-01      1.0000000
            P    5   1.00
               1167.2665844              0.90974021307D-02
                275.38062789             0.68456273343D-01
                 87.375073070            0.26922293888
                 31.597254670            0.53507897882
                 11.824122798            0.35279062760
            P    3   1.00
                  6.2881845133           0.33938244530
                  2.5199853240           0.56871947608
                  1.0169726306           0.27717694939
            P    1   1.00
                  0.24748373604          1.0000000
            P    1   1.00
                  0.66685294163D-01      1.0000000
            D    4   1.00
                 65.354237674            0.27370146382D-01
                 18.504656747            0.15099463976
                  6.3179620632           0.37485328545
                  2.1641389426           0.47510606851
            D    1   1.00
                  0.66693092754           .29843287401
            D    1   1.00
                  0.2070000              1.0000000
            D    1   1.00
                  0.49799390975D-01      1.0000000
            ****
            -Ge     0
            S    6   1.00
              93889.8366420              0.14233976060D-02
              14097.4975280              0.10910795654D-01
               3207.5477309              0.54183705943D-01
                905.76727269             0.18922820349
                295.11014693             0.38612847001
                101.84713141             0.30164050736
            S    3   1.00
                196.56719662            -0.11118770940
                 23.405292522            0.64616007369
                  9.6839116702           0.44188904568
            S    3   1.00
                 17.269736544           -0.23027421375
                  2.8964622160           0.73017169398
                  1.2553621412           0.46197222255
            S    1   1.00
                  0.20213081492          1.0000000
            S    1   1.00
                  0.73867910982D-01      1.0000000
            S    1   1.00
                  0.43410224935D-01      1.0000000
            P    5   1.00
               1259.2085995              0.90115464252D-02
                297.15626382             0.67986841689D-01
                 94.353387522            0.26853856488
                 34.176329677            0.53659649219
                 12.816139615            0.35633514961
            P    3   1.00
                  6.8471029784           0.33900693119
                  2.7717363939           0.56809365264
                  1.1458418175           0.27246539884
            P    1   1.00
                  0.30679631536          1.0000000
            P    1   1.00
                  0.89283644115D-01      1.0000000
            D    4   1.00
                 74.782168177            0.25755860205D-01
                 21.310849759            0.14536816132
                  7.3464792363           0.37134209859
                  2.5656271395           0.48002998436
            D    1   1.00
                  0.81981773070           .28978790744
            D    1   1.00
                  0.2460000              1.0000000
            D    1   1.00
                  0.66328328796D-01      1.0000000
            ****
            -As     0
            S    6   1.00
             100146.5255400              0.14258349617D-02
              15036.8617110              0.10930176963D-01
               3421.2902833              0.54294174610D-01
                966.16965717             0.18976078153
                314.87394026             0.38775195453
                108.70823790             0.30402812040
            S    3   1.00
                209.54238950            -0.11162094204
                 25.038221139            0.64697607762
                 10.390964343            0.44223608673
            S    3   1.00
                 18.555090093           -0.22994190569
                  3.1281217449           0.73319107613
                  1.3884885073           0.45533653943
            S    1   1.00
                  0.24714362141          1.0000000
            S    1   1.00
                  0.91429428670D-01      1.0000000
            S    1   1.00
                  0.55939685220D-01      1.0000000
            P    5   1.00
               1355.6443507              0.89182507898D-02
                319.99929270             0.67454750717D-01
                101.67734092             0.26759772110
                 36.886323845            0.53776844520
                 13.861115909            0.35992570244
            P    3   1.00
                  7.4260666912           0.34036849637
                  3.0316247187           0.57030149334
                  1.2783078340           0.26606170238
            P    1   1.00
                  0.37568503356          1.0000000
            P    1   1.00
                  0.11394805454          1.0000000
            D    4   1.00
                 84.445514539            0.24518402724D-01
                 24.190416102            0.14107454677
                  8.4045015119           0.36875228915
                  2.9808970748           0.48409561362
            D    1   1.00
                  0.97909243359           .28250268781
            D    1   1.00
                  0.2930000              1.0000000
            D    1   1.00
                  0.84097628016D-01      1.0000000
            ****
            -Se     0
            S    6   1.00
             106612.2002700              0.14274889113D-02
              16007.6047010              0.10943525114D-01
               3642.1699707              0.54374171596D-01
               1028.5912993              0.19018092947
                335.30298888             0.38913021696
                115.80129154             0.30620207088
            S    3   1.00
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            ****
            -Sb     0
            S    6   1.00
                372.76139166             0.15878057239D-02
                 22.689478596           -0.15027605583
                 18.391547037            0.35915813039
                  7.6406271414          -0.74805091065
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            S    2   1.00
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            S    1   1.00
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                 10.052739237           -0.41511149340
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            P    1   1.00
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            P    1   1.00
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                 18.504059617           -0.54952972010D-02
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                  1.7142196009           0.51273377761
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            D    1   1.00
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            ****
            -Te     0
            S    6   1.00
                396.47954659             0.26307731203D-02
                 21.919773309           -0.13203517066
                 18.061271390            0.36203197834
                  8.1403463241          -0.75591120276
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            S    2   1.00
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            S    1   1.00
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            S    1   1.00
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                 10.433943171           -0.41205302672
                  1.3623024763           0.78760578076
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            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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                 18.884095378           -0.35221408938D-02
                  4.2527304630           0.28254216065
                  1.8757557092           0.52039372916
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            D    1   1.00
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            D    1   1.00
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            ****
            -I     0
            S    6   1.00
                445.90489176             0.20037290389D-02
                 23.336842412           -0.14989397324
                 19.583446104            0.36436474913
                  8.5112089186          -0.75538138199
                  2.1996161861           0.82816359356
                  1.0668970454           0.42161048110
            S    2   1.00
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            S    1   1.00
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            S    1   1.00
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            S    1   1.00
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            P    4   1.00
                 20.499027254            0.77159335656D-01
                 10.558754576           -0.38370372780
                  1.5015895485           0.83554174719
                  0.64597173095          0.16787259488
            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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                 51.235354920            0.40345130346D-02
                 15.616239482           -0.50768108881D-02
                  4.5266002139           0.29151065356
                  2.0529808766           0.51145783605
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            D    1   1.00
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            D    1   1.00
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            ****
            -Xe     0
            S    5   1.00
               6420.2481656              0.25092173886D-03
                983.54530664             0.16251948178D-02
                219.43881364             0.46037106451D-02
                 23.012587807           -0.14698707182
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            S    2   1.00
                 11.752550163            0.66038420156
                  6.2390917199           0.38470524721
            S    1   1.00
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            S    1   1.00
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            S    1   1.00
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            S    1   1.00
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            S    1   1.00
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            P    4   1.00
                 13.960683826           -0.50950157807D-01
                  4.0928947097           0.36669211800
                  2.2546815460           0.72619456861
                  1.1546596184           0.35555871740
            P    3   1.00
                193.81432545             0.95394802497D-03
                 21.725228086            0.57393353332D-01
                  9.8891605641          -0.27974266640
            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            D    6   1.00
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                 38.727062692            0.60897654151D-02
                 15.377328089           -0.92782985596D-02
                  5.2602537686           0.22890785589
                  2.6590627424           0.44434407051
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            D    1   1.00
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            D    1   1.00
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            D    1   1.00
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            F    1   1.00
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            ****
            -Cs     0
            S    3   1.00
                  5.8778113443           0.12859994983
                  4.3631538286          -0.34632569725
                  1.8048475155           0.69930637051
            S    1   1.00
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            S    1   1.00
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            S    1   1.00
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            P    4   1.00
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                  1.9656663360          -0.25019961976
                  0.47689195212          0.55660850066
                  0.21529749588          0.58218553406
            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            D    1   1.00
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            D    1   1.00
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            ****
            -Ba     0
            S    3   1.00
                  2.3961900000          -5.9554766710
                  2.2433050000           6.6805648241
                  0.71740200000         -0.57055347037
            S    1   1.00
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            S    1   1.00
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            S    1   1.00
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            P    4   1.00
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                  2.5207180000          -1.0707548832
                  0.67578180854          0.34940781448
                  0.31985844531          0.65041110673
            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            D    4   1.00
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                  0.1038910              0.4732600
            D    1   1.00
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            F    4   1.00
                 10.00                   0.073
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                  1.00                   0.350
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            ****
            -La     0
            S    2   1.00
                  5.0873990000          -0.44173707857
                  4.2709780000           0.85812489720
            S    1   1.00
                  2.1823803999           1.0000000
            S    1   1.00
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            S    1   1.00
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            S    1   1.00
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            P    4   1.00
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                  2.3820950000           0.51718364643673D+00
                  0.67246658081         -0.44823115995325D+00
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            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            D    4   1.00
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                  0.89049882672          0.25137236211233D+00
                  0.32947291040          0.44604068239531D+00
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            D    1   1.00
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            ****
            -Hf     0
            S    2   1.00
                 14.592485000           -0.80196298812
                 11.547491000            1.5261602829
            S    1   1.00
                  4.9112973928           1.0000000
            S    1   1.00
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            S    1   1.00
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            S    1   1.00
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            S    1   1.00
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            P    4   1.00
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                  5.9599790000          -0.83713508620273
                  1.0921117054           0.50570506286223
                  0.49702823217          0.51965388690539
            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            D    4   1.00
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                  1.3077987772           0.18409232564002
                  0.53272310298          0.41484423515705
                  0.20564954488          0.44224303496859
            D    1   1.00
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            F    1   1.00
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            ****
            -Ta     0
            S    2   1.00
                 14.400000000            0.99343296745
                 12.000000000           -1.6510077975
            S    1   1.00
                  5.0701477302           1.0000000
            S    1   1.00
                  0.86033356487          1.0000000
            S    1   1.00
                  0.37158938894          1.0000000
            S    1   1.00
                  0.10745336254          1.0000000
            S    1   1.00
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                  5.6984100000          -0.46968874449
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                  0.54478533555          0.52298161137
            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            D    4   1.00
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                  0.61042908544          0.42959071631
                  0.24216276510          0.43497228231503D+00
            D    1   1.00
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            ****
            -W     0
            S    2   1.00
                 15.000000000           -0.53315505392
                 12.000000000            1.0014141748
            S    1   1.00
                  5.2610967725           1.0000000
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                  0.11585976646          1.0000000
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                  6.0848760000          -0.66720686321
                  1.2523777812           0.52090351989
                  0.58569208922          0.51885687511
            P    1   1.00
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            D    4   1.00
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                  0.69187452392          0.44121676843
                  0.27865835325          0.43158409241461D+00
            D    1   1.00
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            ****
            -Re     0
            S    2   1.00
                 14.781862000           -1.1395193885
                 12.324075000            1.9371421121
            S    1   1.00
                  5.5098597284           1.0000000
            S    1   1.00
                  0.98874104687          1.0000000
            S    1   1.00
                  0.42833312030          1.0000000
            S    1   1.00
                  0.12296804533          1.0000000
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            P    4   1.00
                  7.4040050000           0.54510937865
                  6.3502060000          -0.76096056536
                  1.3311713455           0.53252276765
                  0.62659600547          0.51483045040
            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            D    4   1.00
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                  0.78702048429          0.45160766937
                  0.32069843172          0.43261236265745D+00
            D    1   1.00
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                  0.4898900              1.0000000
            ****
            -Os     0
            S    2   1.00
                 15.286736000           -1.0647114485
                 12.700638000            1.8433193269
            S    1   1.00
                  5.7094832504           1.0000000
            S    1   1.00
                  1.0689228744           1.0000000
            S    1   1.00
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            S    1   1.00
                  0.13253456992          1.0000000
            S    1   1.00
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            P    4   1.00
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                  6.3036410000          -0.56379438345
                  1.4351579676           0.52360040577
                  0.68442749722          0.52445339821
            P    1   1.00
                  0.28347394974          1.0000000
            P    1   1.00
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            P    1   1.00
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            D    4   1.00
                  3.5808150000          -0.42773932262
                  3.1961650000           0.44501403992
                  1.0550226354           0.43689459722
                  0.41588406618          0.48220605798770D+00
            D    1   1.00
                  0.14653507868          1.0000000
            F    1   1.00
                  0.5506500              1.0000000
            ****
            -Ir     0
            S    2   1.00
                 15.293709000           -1.6731899791
                 13.573682000            2.3934378976
            S    1   1.00
                  5.8213436542           1.0000000
            S    1   1.00
                  1.1520364268           1.0000000
            S    1   1.00
                  0.51104895338          1.0000000
            S    1   1.00
                  0.14084043578          1.0000000
            S    1   1.00
                  0.49828673085D-01      1.0000000
            P    4   1.00
                  8.6697960000           0.21469187346391
                  6.2456140000          -0.44863071815131
                  1.5657036153           0.50653393256771
                  0.75577412863          0.54052273352337
            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            D    4   1.00
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                  3.3617430000           0.56835425804006
                  1.1177053710           0.44304381513032
                  0.44322534858          0.47078394930144
            D    1   1.00
                  0.15641305125          1.0000000
            F    1   1.00
                  0.6100800              1.0000000
            ****
            -Pt     0
            S    2   1.00
                 16.559563000           -0.53808800717
                 13.892440000            0.91402161377
            S    1   1.00
                  5.8531044732           1.0000000
            S    1   1.00
                  1.2498640609           1.0000000
            S    1   1.00
                  0.55606439459          1.0000000
            S    1   1.00
                  0.13793093812          1.0000000
            S    1   1.00
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            P    4   1.00
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                  7.2000000000          -0.95441807252
                  1.5588402917           0.57140490320
                  0.73230402180          0.49508234268
            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            D    4   1.00
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                  0.93629991261          0.46533857641
                  0.37160028160          0.41129165525
            D    1   1.00
                  0.13155928617          1.0000000
            F    1   1.00
                  0.6681300              1.0000000
            ****
            -Au     0
            S    2   1.00
                 20.115299000           -0.15910719389
                 12.193477000            0.79105526778
            S    1   1.00
                  6.0735294368           1.0000000
            S    1   1.00
                  1.3174451569           1.0000000
            S    1   1.00
                  0.58596768244          1.0000000
            S    1   1.00
                  0.13875427354          1.0000000
            S    1   1.00
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            P    4   1.00
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                  7.3353260000          -0.72681584494
                  1.6575296365           0.57315511417
                  0.78159310216          0.49579068859
            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            D    4   1.00
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                  3.5682570000           0.40197233762
                  1.2345757130           0.46001988624
                  0.48190232338          0.46152130957882D+00
            D    1   1.00
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            F    1   1.00
                  0.7248200              1.0000000
            ****
            -Hg     0
            S    2   1.00
                 26.842049000           -0.26845096483D-01
                 10.320909000            0.81771278143
            S    1   1.00
                  6.3656242291           1.0000000
            S    1   1.00
                  1.3898932095           1.0000000
            S    1   1.00
                  0.63706742699          1.0000000
            S    1   1.00
                  0.16047725098          1.0000000
            S    1   1.00
                  0.56410423453D-01      1.0000000
            P    4   1.00
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                  7.1690950000          -0.44026342153
                  1.7559567931           0.58406314464
                  0.83145670425          0.49359746203
            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            D    4   1.00
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                  3.4800000000           0.37748470203231
                  1.2535869926           0.48342275878173
                  0.50841366863          0.43493523158359
            D    1   1.00
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            F    1   1.00
                  0.7956900              1.0000000
            ****
            -Tl     0
            S    6   1.00
                 45.356924655            0.50938157397D-02
                 20.278843336           -0.14805704314
                 14.420612394            0.36768453564
                  6.2161909754          -0.66820394623
                  1.5002511178           0.96232806743
                  0.76330879305          0.33175999361
            S    2   1.00
                  7.8193195283          -0.18828631537D-01
                  1.3176904042           0.32093431467
            S    1   1.00
                  0.17643545481          1.0000000
            S    1   1.00
                  0.65296835238D-01      1.0000000
            S    1   1.00
                  0.24592841139D-01      1.0000000
            P    4   1.00
                  9.0323058024           0.22738839085
                  7.5356419671          -0.35117975889
                  1.0521421998           0.25690085604
                  0.50303932656          0.84549942764D-01
            P    1   1.00
                  2.0067660913           1.0000000
            P    1   1.00
                  0.16675605056          1.0000000
            P    1   1.00
                  0.48596401464D-01      1.0000000
            D    5   1.00
                  9.4421940760           0.58250776986D-01
                  7.4410003381          -0.11789199301
                  1.9831617772           0.34232057636
                  0.91671748567          0.47557282350
                  0.39647207885          0.30528029435
            D    1   1.00
                  0.15500000000          1.0000000
            D    1   1.00
                  0.39237960293D-01      1.0000000
            ****
            -Pb     0
            S    6   1.00
                 55.727520333            0.29681153058D-02
                 20.302912827           -0.14352634362
                 14.558628750            0.37554188507
                  6.5370530973          -0.67253099800
                  1.5933900686           0.95887533909
                  0.83051419711          0.32593632538
            S    2   1.00
                  8.0719473648          -0.20412061217D-01
                  1.4165737490           0.32865829049
            S    1   1.00
                  0.20418933370          1.0000000
            S    1   1.00
                  0.77159007761D-01      1.0000000
            S    1   1.00
                  0.33059793391D-01      1.0000000
            P    4   1.00
                  9.5531412199           0.20542943990
                  7.5327685129          -0.36407590058
                  1.1185539567           0.32217481686
                  0.53739855255          0.96677743015D-01
            P    1   1.00
                  2.1359869828           1.0000000
            P    1   1.00
                  0.20027494801          1.0000000
            P    1   1.00
                  0.63408011513D-01      1.0000000
            D    5   1.00
                 13.494505735            0.11571042371D-01
                  7.0609770411          -0.66746645076D-01
                  2.1581835375           0.33978760942
                  1.0148541418           0.48523039273
                  0.44632672920          0.29682924018
            D    1   1.00
                  0.17500000000          1.0000000
            D    1   1.00
                  0.50585085346D-01      1.0000000
            ****
            -Bi     0
            S    6   1.00
                175.19632102             0.80278879028D-03
                 19.820147783           -0.14624461250
                 14.960110102            0.37435719885
                  6.7065785571          -0.68476017748
                  1.7391967524           0.90967322081
                  0.94504730591          0.38695797807
            S    2   1.00
                  8.4636832909          -0.20037183144D-01
                  1.5317838545           0.31054408682
            S    1   1.00
                  0.23405391503          1.0000000
            S    1   1.00
                  0.90268814613D-01      1.0000000
            S    1   1.00
                  0.41577775054D-01      1.0000000
            P    4   1.00
                 10.672046293            0.14391258793
                  7.1992185915          -0.37994608603
                  1.5359697528           0.53268032065
                  0.72201275727          0.23037698678
            P    1   1.00
                  2.8508661858           1.0000000
            P    1   1.00
                  0.23769418731          1.0000000
            P    1   1.00
                  0.78768140453D-01      1.0000000
            D    5   1.00
                 15.834273510            0.85062993231D-02
                  7.0956896087          -0.65954380016D-01
                  2.3363137007           0.33707163406
                  1.1208861366           0.49128719933
                  0.50309487376          0.29095930644
            D    1   1.00
                  0.20000000000          1.0000000
            D    1   1.00
                  0.62256480090D-01      1.0000000
            ****
            -Po     0
            S    6   1.00
                278.13783916             0.91690497839D-03
                 19.659291105           -0.14713009283
                 15.016229647            0.38790413631
                  7.1149978720          -0.67059966298
                  1.7879214122           0.91212928327
                  0.94021655206          0.29153755200
            S    2   1.00
                  8.7584161749          -0.21561417525D-01
                  1.6503945866           0.31638990001
            S    1   1.00
                  0.26329582133          1.0000000
            S    1   1.00
                  0.10190654304          1.0000000
            S    1   1.00
                  0.36854928339D-01      1.0000000
            P    4   1.00
                 10.445945973            0.23631841405
                  8.0293101888          -0.45017818996
                  1.3588798023           0.44160334658
                  0.66829182929          0.14575285544
            P    1   1.00
                  2.4460635387           1.0000000
            P    1   1.00
                  0.27242942777          1.0000000
            P    1   1.00
                  0.88796031338D-01      1.0000000
            P    1   1.00
                  0.24278917089D-01      1.0000000
            D    5   1.00
                 18.292670150            0.72030963652D-02
                  7.1695578539          -0.66160544754D-01
                  2.5029225180           0.34363449378
                  1.2115945443           0.50529101033
                  0.54713334240          0.28301155453
            D    1   1.00
                  0.21500000000          1.0000000
            D    1   1.00
                  0.60680939679D-01      1.0000000
            ****
            -At     0
            S    6   1.00
                303.23376176             0.63504969788D-03
                 20.289449240           -0.13823165350
                 15.383783126            0.38333193283
                  7.4702184232          -0.66837560338
                  1.8731608346           0.91545877992
                  0.97426847543          0.25559567998
            S    2   1.00
                  8.9610112498          -0.23092977605D-01
                  1.7804284294           0.31690635939
            S    1   1.00
                  0.29269461143          1.0000000
            S    1   1.00
                  0.11395353119          1.0000000
            S    1   1.00
                  0.42558321816D-01      1.0000000
            P    4   1.00
                 10.722023134            0.26194870008
                  8.4823338656          -0.46607228264
                  1.3474291294           0.42119853309
                  0.62824011467          0.10643224457
            P    1   1.00
                  2.4814896839           1.0000000
            P    1   1.00
                  0.31036518470          1.0000000
            P    1   1.00
                  0.10144862043          1.0000000
            P    1   1.00
                  0.26996558228D-01      1.0000000
            D    5   1.00
                 20.799819604            0.65227965381D-02
                  7.1664616770          -0.67780885217D-01
                  2.6934397048           0.33954991335
                  1.3175112423           0.50899559178
                  0.59997066293          0.27526771759
            D    1   1.00
                  0.23500000000          1.0000000
            D    1   1.00
                  0.67929272623D-01      1.0000000
            ****
            -Rn     0
            S    5   1.00
               5187.7442468              0.16097034848D-03
                768.14491207             0.10508214789D-02
                159.35182065             0.27375438093D-02
                 21.863432724           -0.55045904905
                 18.388689978            0.78321373922
            S    2   1.00
                 24.816226448           -0.82636797204D-01
                  7.2923301677           1.0926256000
            S    1   1.00
                  2.0850437166           1.0000000
            S    1   1.00
                  1.0915245945           1.0000000
            S    1   1.00
                  0.34915708428          1.0000000
            S    1   1.00
                  0.13648422952          1.0000000
            S    1   1.00
                  0.46837581728D-01      1.0000000
            P    4   1.00
                  9.0845000304          -0.23093917426
                  6.2631489717           0.39747614192
                  2.2545193734           0.83026693838
                  1.1180666918           0.51467013112
            P    3   1.00
                194.68918723             0.26265814046D-03
                 11.210013525            0.19952302621
                  7.5298316489          -0.45994479561
            P    1   1.00
                  0.47444492594          1.0000000
            P    1   1.00
                  0.20172354616          1.0000000
            P    1   1.00
                  0.79503144392D-01      1.0000000
            P    1   1.00
                  0.22264519316D-01      1.0000000
            D    6   1.00
                 75.302723665            0.73590238429D-03
                 17.965913830            0.89490827389D-02
                  7.3741298033          -0.76641663693D-01
                  3.2296258578           0.22975404602
                  1.7937840508           0.43991495311
                  0.94633319732          0.35259395198
            D    1   1.00
                  0.46860482223          1.0000000
            D    1   1.00
                  0.20000000000          1.0000000
            D    1   1.00
                  0.68815941916D-01      1.0000000
            F    1   1.00
                  2.1000000              1.0000000
            F    1   1.00
                  0.4180600              1.0000000
            ****
            
            -RB     0
            RB-ECP     3     28
            f potential
              1
            2      3.8431140            -12.3169000
            s-f potential
              3
            2      5.0365510             89.5001980
            2      1.9708490              0.4937610
            2      3.8431140             12.3169000
            p-f potential
              3
            2      4.2583410             58.5689740
            2      1.4707090              0.4317910
            2      3.8431140             12.3169000
            d-f potential
              3
            2      3.0231270             26.2248980
            2      0.6503830              0.9628390
            2      3.8431140             12.3169000
            -SR     0
            SR-ECP     3     28
            f potential
              1
            2      4.6339750            -15.8059920
            s-f potential
              3
            2      7.4000740            135.4794300
            2      3.6063790             17.5344630
            2      4.6339750             15.8059920
            p-f potential
              3
            2      6.4848680             88.3597090
            2      3.2880530             15.3943720
            2      4.6339750             15.8059920
            d-f potential
              3
            2      4.6228410             29.8889870
            2      2.2469040              6.6594140
            2      4.6339750             15.8059920
            -Y     0
            Y-ECP     3     28
            f potential
              2
            2      6.5842120            -19.12219811
            2      3.2921060             -2.43637543
            s-f potential
              4
            2      7.4880494            135.15384412
            2      3.7440247             15.55244130
            2      6.5842120             19.12219811
            2      3.2921060              2.43637543
            p-f potential
              4
            2      6.4453772             87.78499167
            2      3.2226886             11.56406599
            2      6.5842120             19.12219811
            2      3.2921060              2.43637543
            d-f potential
              4
            2      4.6584472             29.70100072
            2      2.3292236              5.53996847
            2      6.5842120             19.12219811
            2      3.2921060              2.43637543
            -ZR     0
            ZR-ECP     3     28
            f potential
              2
            2      7.5400000            -21.09377605
            2      3.7700000             -3.08069427
            s-f potential
              4
            2      8.2000000            150.26759106
            2      4.0897278             18.97621650
            2      7.5400000             21.09377605
            2      3.7700000              3.08069427
            p-f potential
              4
            2      7.1100000             99.62212372
            2      3.5967980             14.16873329
            2      7.5400000             21.09377605
            2      3.7700000              3.08069427
            d-f potential
              4
            2      5.3500000             35.04512355
            2      2.4918215              6.11125948
            2      7.5400000             21.09377605
            2      3.7700000              3.08069427
            -NB     0
            NB-ECP     3     28
            f potential
              2
            2      8.4900000            -22.92954996
            2      4.2500000             -3.66630986
            s-f potential
              4
            2      8.9000000            165.17914349
            2      4.4300000             21.99297437
            2      8.4900000             22.92954996
            2      4.2500000              3.66630986
            p-f potential
              4
            2      7.7700000            111.79441445
            2      3.9600000             16.63348326
            2      8.4900000             22.92954996
            2      4.2500000              3.66630986
            d-f potential
              4
            2      6.0500000             38.11224880
            2      2.8400000              8.03916727
            2      8.4900000             22.92954996
            2      4.2500000              3.66630986
            -MO     0
            MO-ECP     3     28
            f potential
              2
            2      9.4500000            -24.80517707
            2      4.7200000             -4.15378155
            s-f potential
              4
            2      9.7145938            180.10310850
            2      4.6805004             24.99722791
            2      9.4500000             24.80517707
            2      4.7200000              4.15378155
            p-f potential
              4
            2      8.1421366            123.77275231
            2      4.6259863             19.53022800
            2      9.4500000             24.80517707
            2      4.7200000              4.15378155
            d-f potential
              4
            2      6.6184148             48.37502229
            2      3.2487516              8.89205274
            2      9.4500000             24.80517707
            2      4.7200000              4.15378155
            -TC     0
            TC-ECP     3     28
            f potential
              2
            2     10.4000000            -26.56244747
            2      5.2000000             -4.58568054
            s-f potential
              4
            2     10.4223462            195.15916591
            2      5.0365160             28.09260333
            2     10.4000000             26.56244747
            2      5.2000000              4.58568054
            p-f potential
              4
            2      8.9504494            135.28456622
            2      4.8544394             21.80650430
            2     10.4000000             26.56244747
            2      5.2000000              4.58568054
            d-f potential
              4
            2      6.9456968             54.32972942
            2      3.9705849             11.15506795
            2     10.4000000             26.56244747
            2      5.2000000              4.58568054
            -RU     0
            RU-ECP     3     28
            f potential
              2
            2     11.3600000            -28.34061627
            2      5.6800000             -4.94462923
            s-f potential
              4
            2     11.1052693            209.82297122
            2      5.4147454             30.65472642
            2     11.3600000             28.34061627
            2      5.6800000              4.94462923
            p-f potential
              4
            2      9.7712707            146.33618228
            2      5.0739908             24.12787723
            2     11.3600000             28.34061627
            2      5.6800000              4.94462923
            d-f potential
              4
            2      7.6714231             67.51589667
            2      4.1365647              9.87010415
            2     11.3600000             28.34061627
            2      5.6800000              4.94462923
            -RH     0
            RH-ECP     3     28
            f potential
              2
            2     12.3100000            -30.09345572
            2      6.1600000             -5.21848192
            s-f potential
              4
            2     11.7200000            225.34775353
            2      5.8200000             32.82318898
            2     12.3100000             30.09345572
            2      6.1600000              5.21848192
            p-f potential
              4
            2     10.4200000            158.70941159
            2      5.4500000             26.44410049
            2     12.3100000             30.09345572
            2      6.1600000              5.21848192
            d-f potential
              4
            2      8.8200000             62.75862572
            2      3.8700000             10.97871947
            2     12.3100000             30.09345572
            2      6.1600000              5.21848192
            -PD     0
            PD-ECP     3     28
            f potential
              2
            2     13.2700000            -31.92955431
            2      6.6300000             -5.39821694
            s-f potential
              4
            2     12.4300000            240.22904033
            2      6.1707594             35.17194347
            2     13.2700000             31.92955431
            2      6.6300000              5.39821694
            p-f potential
              4
            2     11.0800000            170.41727605
            2      5.8295541             28.47213287
            2     13.2700000             31.92955431
            2      6.6300000              5.39821694
            d-f potential
              4
            2      9.5100000             69.01384488
            2      4.1397811             11.75086158
            2     13.2700000             31.92955431
            2      6.6300000              5.39821694
            -AG     0
            AG-ECP     3     28
            f potential
              2
            2     14.2200000            -33.68992012
            2      7.1100000             -5.53112021
            s-f potential
              4
            2     13.1300000            255.13936452
            2      6.5100000             36.86612154
            2     14.2200000             33.68992012
            2      7.1100000              5.53112021
            p-f potential
              4
            2     11.7400000            182.18186871
            2      6.2000000             30.35775148
            2     14.2200000             33.68992012
            2      7.1100000              5.53112021
            d-f potential
              4
            2     10.2100000             73.71926087
            2      4.3800000             12.50211712
            2     14.2200000             33.68992012
            2      7.1100000              5.53112021
            -CD     0
            CD-ECP     3     28
            f potential
              2
            2     15.1847957            -35.47662555
            2      7.5923978             -5.61767685
            s-f potential
              4
            2     13.8358689            270.00948324
            2      6.8572704             38.76730798
            2     15.1847957             35.47662555
            2      7.5923978              5.61767685
            p-f potential
              4
            2     12.4049710            193.82962939
            2      6.5677995             31.89652523
            2     15.1847957             35.47662555
            2      7.5923978              5.61767685
            d-f potential
              4
            2     10.8969253             79.19364700
            2      4.6411649             13.23082674
            2     15.1847957             35.47662555
            2      7.5923978              5.61767685
            -IN     0
            IN-ECP     3     28
            f potential
              2
            2     12.53905600           -13.72807800
            2     12.55256100           -18.20686600
            s-f potential
              4
            2     15.39282200           281.12235000
            2      8.05586400            61.90147000
            2     12.53905600            13.72807800
            2     12.55256100            18.20686600
            p-f potential
              6
            2     13.92867200            67.46215400
            2     13.34723400           134.94925000
            2      7.61413200            14.74614000
            2      7.31836500            29.63926200
            2     12.53905600            13.72807800
            2     12.55256100            18.20686600
            d-f potential
              6
            2     14.03471500            35.49325400
            2     14.51161600            53.17877300
            2      5.55055000             9.17728100
            2      5.05941500            12.39241000
            2     12.53905600            13.72807800
            2     12.55256100            18.20686600
            -SN     0
            SN-ECP     3     28
            f potential
              2
            2     12.28234800           -12.57633300
            2     12.27215000           -16.59594400
            s-f potential
              4
            2     17.42041400           279.98868200
            2      7.63115500            62.37781000
            2     12.28234800            12.57633300
            2     12.27215000            16.59594400
            p-f potential
              6
            2     16.13102400            66.16252300
            2     15.62807700           132.17439600
            2      7.32560800            16.33941700
            2      6.94251900            32.48895900
            2     12.28234800            12.57633300
            2     12.27215000            16.59594400
            d-f potential
              6
            2     15.51497600            36.38744100
            2     15.18816000            54.50784100
            2      5.45602400             8.69682300
            2      5.36310500            12.84020800
            2     12.28234800            12.57633300
            2     12.27215000            16.59594400
            -SB     0
            SB-ECP     3     28
            f potential
              2
            2     14.44497800           -15.36680100
            2     14.44929500           -20.29613800
            s-f potential
              4
            2     16.33086500           281.07158100
            2      8.55654200            61.71660400
            2     14.44497800            15.36680100
            2     14.44929500            20.29613800
            p-f potential
              6
            2     14.47033700            67.45738000
            2     13.81619400           134.93350300
            2      8.42492400            14.71634400
            2      8.09272800            29.51851200
            2     14.44497800            15.36680100
            2     14.44929500            20.29613800
            d-f potential
              6
            2     14.88633100            35.44781500
            2     15.14631900            53.14346600
            2      5.90826700             9.17922300
            2      5.59432200            13.24025300
            2     14.44497800            15.36680100
            2     14.44929500            20.29613800
            -TE     0
            TE-ECP     3     28
            f potential
              2
            2     15.20616800           -15.74545000
            2     15.20170200           -20.74244800
            s-f potential
              4
            2     16.81447300           281.04584300
            2      8.79352600            61.62065600
            2     15.20616800            15.74545000
            2     15.20170200            20.74244800
            p-f potential
              6
            2     14.87780100            67.44946400
            2     14.26973100           134.90430400
            2      8.72443500            14.68954700
            2      8.29151500            29.41506300
            2     15.20616800            15.74545000
            2     15.20170200            20.74244800
            d-f potential
              6
            2     15.20500800            35.43205700
            2     15.22584800            53.13568700
            2      6.07176900             9.06980200
            2      5.80476000            13.12230400
            2     15.20616800            15.74545000
            2     15.20170200            20.74244800
            -I     0
            I-ECP     3     28
            f potential
              4
            2     19.45860900           -21.84204000
            2     19.34926000           -28.46819100
            2      4.82376700            -0.24371300
            2      4.88431500            -0.32080400
            s-f potential
              7
            2     40.01583500            49.99429300
            2     17.42974700           281.02531700
            2      9.00548400            61.57332600
            2     19.45860900            21.84204000
            2     19.34926000            28.46819100
            2      4.82376700             0.24371300
            2      4.88431500             0.32080400
            p-f potential
              8
            2     15.35546600            67.44284100
            2     14.97183300           134.88113700
            2      8.96016400            14.67505100
            2      8.25909600            29.37566600
            2     19.45860900            21.84204000
            2     19.34926000            28.46819100
            2      4.82376700             0.24371300
            2      4.88431500             0.32080400
            d-f potential
              10
            2     15.06890800            35.43952900
            2     14.55532200            53.17605700
            2      6.71864700             9.06719500
            2      6.45639300            13.20693700
            2      1.19177900             0.08933500
            2      1.29115700             0.05238000
            2     19.45860900            21.84204000
            2     19.34926000            28.46819100
            2      4.82376700             0.24371300
            2      4.88431500             0.32080400
            -XE     0
            XE-ECP     3     28
            f potential
              4
            2     20.88155700           -23.08929500
            2     20.78344300           -30.07447500
            2      5.25338900            -0.28822700
            2      5.36118800            -0.38692400
            s-f potential
              7
            2     40.00518400            49.99796200
            2     17.81221400           281.01330300
            2      9.30415000            61.53825500
            2     20.88155700            23.08929500
            2     20.78344300            30.07447500
            2      5.25338900             0.28822700
            2      5.36118800             0.38692400
            p-f potential
              8
            2     15.70177200            67.43914200
            2     15.25860800           134.87471100
            2      9.29218400            14.66330000
            2      8.55900300            29.35473000
            2     20.88155700            23.08929500
            2     20.78344300            30.07447500
            2      5.25338900             0.28822700
            2      5.36118800             0.38692400
            d-f potential
              10
            2     15.18560000            35.43690800
            2     14.28450000            53.19577200
            2      7.12188900             9.04623200
            2      6.99196300            13.22368100
            2      0.62394600             0.08485300
            2      0.64728400             0.04415500
            2     20.88155700            23.08929500
            2     20.78344300            30.07447500
            2      5.25338900             0.28822700
            2      5.36118800             0.38692400
            -CS     0
            CS-ECP     3     46
            f potential
              1
            2      3.1232690            -28.8843090
            s-f potential
              3
            2      4.0797500             84.5477300
            2      2.4174060             16.6541730
            2      3.1232690             28.8843090
            p-f potential
              3
            2      5.5140800            157.0490590
            2      2.1603160             26.4233070
            2      3.1232690             28.8843090
            d-f potential
              3
            2      1.8074100             13.1727530
            2      0.8581820              3.3428330
            2      3.1232690             28.8843090
            -BA     0
            BA-ECP     3     46
            f potential
              1
            2      3.5894650            -33.4731740
            s-f potential
              3
            2      9.5269860            427.8458160
            2      4.4875100            204.4175300
            2      3.5894650             33.4731740
            p-f potential
              3
            2      8.3159300            293.6058640
            2      4.2922170            294.1933160
            2      3.5894650             33.4731740
            d-f potential
              3
            2      5.9161080            112.5504020
            2      2.8748420            181.7826210
            2      3.5894650             33.4731740
            -LA     0
            LA-ECP     3     46
            f potential
              1
            2      4.0286000            -36.0100160
            s-f potential
              3
            2      3.3099000             91.9321770
            2      1.6550000             -3.7887640
            2      4.0286000             36.0100160
            p-f potential
              3
            2      2.8368000             63.7594860
            2      1.4184000             -0.6479580
            2      4.0286000             36.0100160
            d-f potential
              3
            2      2.0213000             36.1161730
            2      1.0107000              0.2191140
            2      4.0286000             36.0100160
            -HF     0
            HF-ECP     3     60
            f potential
              1
            2      1.78576984            10.04672251
            s-f potential
              3
            2     14.76995900          1499.28471073
            2      7.38497940            40.28210136
            2      1.78576984           -10.04672251
            p-f potential
              3
            2      9.84948950           397.73300533
            2      4.92474450            19.31640586
            2      1.78576984           -10.04672251
            d-f potential
              3
            2      6.09675640           101.32980526
            2      3.04837820             5.87343821
            2      1.78576984           -10.04672251
            -TA     0
            TA-ECP     3     60
            f potential
              1
            2      2.01788111            12.01796094
            s-f potential
              3
            2     14.54640770          1345.88064703
            2      7.27320380            36.76680620
            2      2.01788111           -12.01796094
            p-f potential
              3
            2      9.93556529           378.42530145
            2      4.96778243            22.29309086
            2      2.01788111           -12.01796094
            d-f potential
              3
            2      6.34737691           104.88395571
            2      3.17368846             8.75584805
            2      2.01788111           -12.01796094
            -W     0
            W-ECP     3     60
            f potential
              1
            2      2.25888846            14.15257947
            s-f potential
              3
            2     14.32285640          1192.39588226
            2      7.16142810            32.52293315
            2      2.25888846           -14.15257947
            p-f potential
              3
            2     10.02164110           359.03196711
            2      5.01082040            24.03038019
            2      2.25888846           -14.15257947
            d-f potential
              3
            2      6.59799743           108.30134897
            2      3.29899871            10.98252827
            2      2.25888846           -14.15257947
            -RE     0
            RE-ECP     3     60
            f potential
              1
            2      2.50865059            16.44985227
            s-f potential
              3
            2     14.09930510          1038.95157226
            2      7.04965250            29.56173830
            2      2.50865059           -16.44985227
            p-f potential
              3
            2     10.10771690           339.54350965
            2      5.05385830            24.91369646
            2      2.50865059           -16.44985227
            d-f potential
              3
            2      6.84861794           111.69965275
            2      3.42430897            12.62432927
            2      2.50865059           -16.44985227
            -OS     0
            OS-ECP     3     60
            f potential
              1
            2      2.76707510            18.90945701
            s-f potential
              3
            2     13.87575390           885.40571914
            2      6.93787690            25.96704014
            2      2.76707510           -18.90945701
            p-f potential
              3
            2     10.19379260           320.08390185
            2      5.09689620            26.14876493
            2      2.76707510           -18.90945701
            d-f potential
              3
            2      7.09923846           115.04484313
            2      3.54961923            13.62257457
            2      2.76707510           -18.90945701
            -IR     0
            IR-ECP     3     60
            f potential
              1
            2      3.03407192            21.53103107
            s-f potential
              3
            2     13.65220260           732.26919978
            2      6.82610130            26.48472087
            2      3.03407192           -21.53103107
            p-f potential
              3
            2     10.27986840           299.48947357
            2      5.13993410            26.46623354
            2      3.03407192           -21.53103107
            d-f potential
              3
            2      7.34985897           124.45759451
            2      3.67492949            14.03599518
            2      3.03407192           -21.53103107
            -PT     0
            PT-ECP     3     60
            f potential
              1
            2      3.30956857            24.31437573
            s-f potential
              3
            2     13.42865130           579.22386092
            2      6.71432560            29.66949062
            2      3.30956857           -24.31437573
            p-f potential
              3
            2     10.36594420           280.86077422
            2      5.18297210            26.74538204
            2      3.30956857           -24.31437573
            d-f potential
              3
            2      7.60047949           120.39644429
            2      3.80023974            15.81092058
            2      3.30956857           -24.31437573
            -AU     0
            AU-ECP     3     60
            f potential
              2
            2      4.78982000            30.49008890
            2      2.39491000             5.17107381
            s-f potential
              4
            2     13.20510000           426.84667920
            2      6.60255000            37.00708285
            2      4.78982000           -30.49008890
            2      2.39491000            -5.17107381
            p-f potential
              4
            2     10.45202000           261.19958038
            2      5.22601000            26.96249604
            2      4.78982000           -30.49008890
            2      2.39491000            -5.17107381
            d-f potential
              4
            2      7.85110000           124.79066561
            2      3.92555000            16.30072573
            2      4.78982000           -30.49008890
            2      2.39491000            -5.17107381
            -HG     0
            HG-ECP     3     60
            f potential
              1
            2      3.88579112            30.36499643
            s-f potential
              3
            2     12.98154870           275.73721174
            2      6.49077440            49.08921249
            2      3.88579112           -30.36499643
            p-f potential
              3
            2     10.53809580           241.54007398
            2      5.26904790            27.39659081
            2      3.88579112           -30.36499643
            d-f potential
              3
            2      8.10172051           127.86700761
            2      4.05086026            16.60831151
            2      3.88579112           -30.36499643
            -TL     0
            TL-ECP     3     60
            f potential
              4
            2      5.62639900            15.82548800
            2      5.54895200            21.10402100
            2      2.87494600             2.91512700
            2      2.82145100             3.89690300
            s-f potential
              6
            2     12.16780500           281.28466300
            2      8.29490900            62.43425100
            2      5.62639900           -15.82548800
            2      5.54895200           -21.10402100
            2      2.87494600            -2.91512700
            2      2.82145100            -3.89690300
            p-f potential
              8
            2      7.15149200             4.63340800
            2      5.17286500             9.34175600
            2      9.89107200            72.29925300
            2      9.00339100           144.55803700
            2      5.62639900           -15.82548800
            2      5.54895200           -21.10402100
            2      2.87494600            -2.91512700
            2      2.82145100            -3.89690300
            d-f potential
              8
            2      7.13021800            35.94303900
            2      6.92690600            53.90959300
            2      5.41757000            10.38193900
            2      5.13868100            15.58382200
            2      5.62639900           -15.82548800
            2      5.54895200           -21.10402100
            2      2.87494600            -2.91512700
            2      2.82145100            -3.89690300
            -PB     0
            PB-ECP     3     60
            f potential
              2
            2      3.88751200            12.20989200
            2      3.81196300            16.19029100
            s-f potential
              4
            2     12.29630300           281.28549900
            2      8.63263400            62.52021700
            2      3.88751200           -12.20989200
            2      3.81196300           -16.19029100
            p-f potential
              6
            2     10.24179000            72.27689700
            2      8.92417600           144.59108300
            2      6.58134200             4.75869300
            2      6.25540300             9.94062100
            2      3.88751200           -12.20989200
            2      3.81196300           -16.19029100
            d-f potential
              6
            2      7.75433600            35.84850700
            2      7.72028100            53.72434200
            2      4.97026400            10.11525600
            2      4.56378900            14.83373100
            2      3.88751200           -12.20989200
            2      3.81196300           -16.19029100
            -BI     0
            BI-ECP     3     60
            f potential
              2
            2      4.21454600            13.71338300
            2      4.13340000            18.19430800
            s-f potential
              4
            2     13.04309000           283.26422700
            2      8.22168200            62.47195900
            2      4.21454600           -13.71338300
            2      4.13340000           -18.19430800
            p-f potential
              6
            2     10.46777700            72.00149900
            2      9.11890100           144.00227700
            2      6.75479100             5.00794500
            2      6.25259200             9.99155000
            2      4.21454600           -13.71338300
            2      4.13340000           -18.19430800
            d-f potential
              6
            2      8.08147400            36.39625900
            2      7.89059500            54.59766400
            2      4.95555600             9.98429400
            2      4.70455900            14.98148500
            2      4.21454600           -13.71338300
            2      4.13340000           -18.19430800
            -PO     0
            PO-ECP     3     60
            f potential
              4
            2      5.01327000            17.42829500
            2      4.98464000            23.38035300
            2      1.32676000             0.16339200
            2      1.52875800             0.32456600
            s-f potential
              6
            2     13.27722700           283.24470600
            2      8.39951800            62.39646100
            2      5.01327000           -17.42829500
            2      4.98464000           -23.38035300
            2      1.32676000            -0.16339200
            2      1.52875800            -0.32456600
            p-f potential
              8
            2     10.66568200            71.99171600
            2      9.28375300           143.97187100
            2      6.87274900             4.94961500
            2      6.32615000             9.74049900
            2      5.01327000           -17.42829500
            2      4.98464000           -23.38035300
            2      1.32676000            -0.16339200
            2      1.52875800            -0.32456600
            d-f potential
              8
            2      8.21486600            36.37838300
            2      8.00869600            54.56271500
            2      5.05522700             9.88949900
            2      4.78255300            14.69387700
            2      5.01327000           -17.42829500
            2      4.98464000           -23.38035300
            2      1.32676000            -0.16339200
            2      1.52875800            -0.32456600
            -AT     0
            AT-ECP     3     60
            f potential
              4
            2      5.81216300            19.87019800
            2      5.75371500            26.41645200
            2      2.51347200             0.99497000
            2      2.53626100             1.49070100
            s-f potential
              7
            2     30.20083200            49.95715800
            2     13.61230600           283.21037100
            2      8.52934000            62.28105200
            2      5.81216300           -19.87019800
            2      5.75371500           -26.41645200
            2      2.51347200            -0.99497000
            2      2.53626100            -1.49070100
            p-f potential
              8
            2     10.85406500            71.98237100
            2      9.46822900           143.90353200
            2      7.03111400             4.87175900
            2      6.14385800             8.98305900
            2      5.81216300           -19.87019800
            2      5.75371500           -26.41645200
            2      2.51347200            -0.99497000
            2      2.53626100            -1.49070100
            d-f potential
              8
            2      8.31351500            36.36323700
            2      7.99896500            54.54897000
            2      5.17996600             9.77628500
            2      4.94222600            14.26475500
            2      5.81216300           -19.87019800
            2      5.75371500           -26.41645200
            2      2.51347200            -0.99497000
            2      2.53626100            -1.49070100
            -RN     0
            RN-ECP     3     60
            f potential
              4
            2      6.34857100            21.79729000
            2      6.29594900            28.94680500
            2      2.88211800             1.44736500
            2      2.90804800             2.17796400
            s-f potential
              7
            2     30.15124200            49.96555100
            2     14.52124100           283.07000000
            2      8.05203800            62.00287000
            2      6.34857100           -21.79729000
            2      6.29594900           -28.94680500
            2      2.88211800            -1.44736500
            2      2.90804800            -2.17796400
            p-f potential
              8
            2     11.00994200            71.96911900
            2      9.61762500           143.86055900
            2      7.33600800             4.71476100
            2      6.40625300             9.01306500
            2      6.34857100           -21.79729000
            2      6.29594900           -28.94680500
            2      2.88211800            -1.44736500
            2      2.90804800            -2.17796400
            d-f potential
              8
            2      8.36922000            36.36836500
            2      8.11697500            54.55176100
            2      5.35365600             9.63448700
            2      5.09721200            14.38790200
            2      6.34857100           -21.79729000
            2      6.29594900           -28.94680500
            2      2.88211800            -1.44736500
            2      2.90804800            -2.17796400
            
 Initial command:
 /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l1.exe "/projects/academic/jochena/pierpa/VROA36_Benchmark/VROA_532/Experimental_Lasers/wB97XD_def2SVPD/06_betapinene_STD/Gau-174449.inp" -scrdir="/projects/academic/jochena/pierpa/VROA36_Benchmark/VROA_532/Experimental_Lasers/wB97XD_def2SVPD/06_betapinene_STD/"
 Entering Link 1 = /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l1.exe PID=    174450.
  
 Copyright (c) 1988,1990,1992,1993,1995,1998,2003,2009,2016,
            Gaussian, Inc.  All Rights Reserved.
  
 This is part of the Gaussian(R) 16 program.  It is based on
 the Gaussian(R) 09 system (copyright 2009, Gaussian, Inc.),
 the Gaussian(R) 03 system (copyright 2003, Gaussian, Inc.),
 the Gaussian(R) 98 system (copyright 1998, Gaussian, Inc.),
 the Gaussian(R) 94 system (copyright 1995, Gaussian, Inc.),
 the Gaussian 92(TM) system (copyright 1992, Gaussian, Inc.),
 the Gaussian 90(TM) system (copyright 1990, Gaussian, Inc.),
 the Gaussian 88(TM) system (copyright 1988, Gaussian, Inc.),
 the Gaussian 86(TM) system (copyright 1986, Carnegie Mellon
 University), and the Gaussian 82(TM) system (copyright 1983,
 Carnegie Mellon University). Gaussian is a federally registered
 trademark of Gaussian, Inc.
  
 This software contains proprietary and confidential information,
 including trade secrets, belonging to Gaussian, Inc.
  
 This software is provided under written license and may be
 used, copied, transmitted, or stored only in accord with that
 written license.
  
 The following legend is applicable only to US Government
 contracts under FAR:
  
                    RESTRICTED RIGHTS LEGEND
  
 Use, reproduction and disclosure by the US Government is
 subject to restrictions as set forth in subparagraphs (a)
 and (c) of the Commercial Computer Software - Restricted
 Rights clause in FAR 52.227-19.
  
 Gaussian, Inc.
 340 Quinnipiac St., Bldg. 40, Wallingford CT 06492
  
  
 ---------------------------------------------------------------
 Warning -- This program may not be used in any manner that
 competes with the business of Gaussian, Inc. or will provide
 assistance to any competitor of Gaussian, Inc.  The licensee
 of this program is prohibited from giving any competitor of
 Gaussian, Inc. access to this program.  By using this program,
 the user acknowledges that Gaussian, Inc. is engaged in the
 business of creating and licensing software in the field of
 computational chemistry and represents and warrants to the
 licensee that it is not a competitor of Gaussian, Inc. and that
 it will not use this program in any manner prohibited above.
 ---------------------------------------------------------------
  

 Cite this work as:
 Gaussian 16, Revision A.03,
 M. J. Frisch, G. W. Trucks, H. B. Schlegel, G. E. Scuseria, 
 M. A. Robb, J. R. Cheeseman, G. Scalmani, V. Barone, 
 G. A. Petersson, H. Nakatsuji, X. Li, M. Caricato, A. V. Marenich, 
 J. Bloino, B. G. Janesko, R. Gomperts, B. Mennucci, H. P. Hratchian, 
 J. V. Ortiz, A. F. Izmaylov, J. L. Sonnenberg, D. Williams-Young, 
 F. Ding, F. Lipparini, F. Egidi, J. Goings, B. Peng, A. Petrone, 
 T. Henderson, D. Ranasinghe, V. G. Zakrzewski, J. Gao, N. Rega, 
 G. Zheng, W. Liang, M. Hada, M. Ehara, K. Toyota, R. Fukuda, 
 J. Hasegawa, M. Ishida, T. Nakajima, Y. Honda, O. Kitao, H. Nakai, 
 T. Vreven, K. Throssell, J. A. Montgomery, Jr., J. E. Peralta, 
 F. Ogliaro, M. J. Bearpark, J. J. Heyd, E. N. Brothers, K. N. Kudin, 
 V. N. Staroverov, T. A. Keith, R. Kobayashi, J. Normand, 
 K. Raghavachari, A. P. Rendell, J. C. Burant, S. S. Iyengar, 
 J. Tomasi, M. Cossi, J. M. Millam, M. Klene, C. Adamo, R. Cammi, 
 J. W. Ochterski, R. L. Martin, K. Morokuma, O. Farkas, 
 J. B. Foresman, and D. J. Fox, Gaussian, Inc., Wallingford CT, 2016.
 
 ******************************************
 Gaussian 16:  ES64L-G16RevA.03 25-Dec-2016
                22-Jul-2021 
 ******************************************
 %NoSave
 %nproc=12
 Will use up to   12 processors via shared memory.
 %mem=128GB
 %chk=06_betapinene_STD_wB97XD-def2SVPDr
 ----------------------------------------------------------------------
 #P wB97XD/Gen Integral=UltraFineGrid SCF=(NoSymm,MaxCyc=120) Polar=ROA
  Guess=Read Geom=Check CPHF=RdFreq
 ----------------------------------------------------------------------
 1/29=2,38=1,83=21,172=1/1;
 2/12=2,40=1/2;
 3/5=7,11=2,14=-4,25=1,30=1,36=2,74=-58,75=-5,116=-2/1,2,3;
 4/5=1,9=2/1;
 5/5=2,7=120,38=6,98=1/2;
 8/6=4,10=90,11=11/1;
 10/13=10,49=112,72=3/2;
 6/7=2,8=2,9=2,10=2,28=1/1;
 7/8=1,25=21/16;
 99/5=1/99;
 Leave Link    1 at Thu Jul 22 19:48:50 2021, MaxMem= 17179869184 cpu:               2.4 elap:               0.2
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l101.exe)
 -----------------
 ROA calculations.
 -----------------
 Structure from the checkpoint file:  "06_betapinene_STD_wB97XD-def2SVPDr.chk"
 Charge =  0 Multiplicity = 1
 No Z-Matrix found in chk file; cartesian coordinates used.
  C                                                 1.736209000000      0.801878000000      0.378732000000
  C                                                 0.496901000000      1.638940000000      0.787068000000
  C                                                 1.383096000000     -0.522443000000     -0.274501000000
  C                                                 2.201969000000     -1.569072000000     -0.279208000000
  C                                                 0.025556000000     -0.542713000000     -0.909694000000
  C                                                -1.066183000000     -0.286051000000      0.196211000000
  C                                                -0.738063000000      1.227450000000     -0.016143000000
  C                                                -0.309046000000      0.871194000000     -1.461941000000
  H                                                 2.398518000000      0.639455000000      1.229830000000
  H                                                 0.705457000000      2.697786000000      0.618767000000
  H                                                 0.292720000000      1.530390000000      1.853834000000
  H                                                 3.163814000000     -1.541544000000      0.219131000000
  H                                                 1.937671000000     -2.488500000000     -0.787055000000
  H                                                -0.114313000000     -1.410379000000     -1.555412000000
  C                                                -0.857617000000     -0.904210000000      1.570339000000
  C                                                -2.466835000000     -0.645129000000     -0.296336000000
  H                                                -1.560459000000      1.932149000000      0.122182000000
  H                                                -1.140268000000      0.855938000000     -2.161136000000
  H                                                 0.507286000000      1.443130000000     -1.902380000000
  H                                                 0.139287000000     -0.735039000000      1.971262000000
  H                                                -1.004924000000     -1.985930000000      1.522168000000
  H                                                -1.583414000000     -0.502658000000      2.282629000000
  H                                                -2.691969000000     -0.231611000000     -1.278562000000
  H                                                -3.219726000000     -0.269790000000      0.401530000000
  H                                                -2.582631000000     -1.729976000000     -0.357089000000
  H                                                 2.317034000000      1.377511000000     -0.346860000000
 Recover connectivity data from disk.
 ITRead=  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0
 ITRead=  0  0  0  0  0  0
 MicOpt= -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1
 MicOpt= -1 -1 -1 -1 -1 -1
 NAtoms=     26 NQM=       26 NQMF=       0 NMMI=      0 NMMIF=      0
                NMic=       0 NMicF=      0.
                    Isotopes and Nuclear Properties:
 (Nuclear quadrupole moments (NQMom) in fm**2, nuclear magnetic moments (NMagM)
  in nuclear magnetons)

  Atom         1           2           3           4           5           6           7           8           9          10
 IAtWgt=          12          12          12          12          12          12          12          12           1           1
 AtmWgt=  12.0000000  12.0000000  12.0000000  12.0000000  12.0000000  12.0000000  12.0000000  12.0000000   1.0078250   1.0078250
 NucSpn=           0           0           0           0           0           0           0           0           1           1
 AtZEff=   3.6000000   3.6000000   3.6000000   3.6000000   3.6000000   3.6000000   3.6000000   3.6000000   1.0000000   1.0000000
 NQMom=    0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000
 NMagM=    0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   2.7928460   2.7928460
 AtZNuc=   6.0000000   6.0000000   6.0000000   6.0000000   6.0000000   6.0000000   6.0000000   6.0000000   1.0000000   1.0000000

  Atom        11          12          13          14          15          16          17          18          19          20
 IAtWgt=           1           1           1           1          12          12           1           1           1           1
 AtmWgt=   1.0078250   1.0078250   1.0078250   1.0078250  12.0000000  12.0000000   1.0078250   1.0078250   1.0078250   1.0078250
 NucSpn=           1           1           1           1           0           0           1           1           1           1
 AtZEff=   1.0000000   1.0000000   1.0000000   1.0000000   3.6000000   3.6000000   1.0000000   1.0000000   1.0000000   1.0000000
 NQMom=    0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000
 NMagM=    2.7928460   2.7928460   2.7928460   2.7928460   0.0000000   0.0000000   2.7928460   2.7928460   2.7928460   2.7928460
 AtZNuc=   1.0000000   1.0000000   1.0000000   1.0000000   6.0000000   6.0000000   1.0000000   1.0000000   1.0000000   1.0000000

  Atom        21          22          23          24          25          26
 IAtWgt=           1           1           1           1           1           1
 AtmWgt=   1.0078250   1.0078250   1.0078250   1.0078250   1.0078250   1.0078250
 NucSpn=           1           1           1           1           1           1
 AtZEff=   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000
 NQMom=    0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000
 NMagM=    2.7928460   2.7928460   2.7928460   2.7928460   2.7928460   2.7928460
 AtZNuc=   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000
 Using perturbation frequencies:    0.093368
 Leave Link  101 at Thu Jul 22 19:48:50 2021, MaxMem= 17179869184 cpu:               1.4 elap:               0.2
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l202.exe)
                          Input orientation:                          
 ---------------------------------------------------------------------
 Center     Atomic      Atomic             Coordinates (Angstroms)
 Number     Number       Type             X           Y           Z
 ---------------------------------------------------------------------
      1          6           0        1.736209    0.801878    0.378732
      2          6           0        0.496901    1.638940    0.787068
      3          6           0        1.383096   -0.522443   -0.274501
      4          6           0        2.201969   -1.569072   -0.279208
      5          6           0        0.025556   -0.542713   -0.909694
      6          6           0       -1.066183   -0.286051    0.196211
      7          6           0       -0.738063    1.227450   -0.016143
      8          6           0       -0.309046    0.871194   -1.461941
      9          1           0        2.398518    0.639455    1.229830
     10          1           0        0.705457    2.697786    0.618767
     11          1           0        0.292720    1.530390    1.853834
     12          1           0        3.163814   -1.541544    0.219131
     13          1           0        1.937671   -2.488500   -0.787055
     14          1           0       -0.114313   -1.410379   -1.555412
     15          6           0       -0.857617   -0.904210    1.570339
     16          6           0       -2.466835   -0.645129   -0.296336
     17          1           0       -1.560459    1.932149    0.122182
     18          1           0       -1.140268    0.855938   -2.161136
     19          1           0        0.507286    1.443130   -1.902380
     20          1           0        0.139287   -0.735039    1.971262
     21          1           0       -1.004924   -1.985930    1.522168
     22          1           0       -1.583414   -0.502658    2.282629
     23          1           0       -2.691969   -0.231611   -1.278562
     24          1           0       -3.219726   -0.269790    0.401530
     25          1           0       -2.582631   -1.729976   -0.357089
     26          1           0        2.317034    1.377511   -0.346860
 ---------------------------------------------------------------------
                    Distance matrix (angstroms):
                    1          2          3          4          5
     1  C    0.000000
     2  C    1.550257   0.000000
     3  C    1.518298   2.565901   0.000000
     4  C    2.504241   3.786231   1.328912   0.000000
     5  C    2.528695   2.803708   1.498932   2.487509   0.000000
     6  C    3.011695   2.549105   2.505278   3.543019   1.575054
     7  C    2.541468   1.529578   2.761918   4.066144   2.124859
     8  C    2.752444   2.509388   2.493107   3.695802   1.554371
     9  H    1.090597   2.193435   2.155018   2.682055   3.406763
    10  H    2.171298   1.092234   3.409838   4.609987   3.646819
    11  H    2.188679   1.091541   3.151643   4.219214   3.464999
    12  H    2.748664   4.189326   2.110260   1.083626   3.481461
    13  H    3.496603   4.646444   2.106097   1.083102   2.730808
    14  H    3.472668   3.893474   2.161341   2.649348   1.090578
    15  C    3.325447   2.985941   2.927452   3.636472   2.657299
    16  C    4.496123   3.895442   3.851947   4.759380   2.568795
    17  H    3.494474   2.181920   3.853167   5.155146   3.115310
    18  H    3.837704   3.461982   3.438996   4.537937   2.209407
    19  H    2.669256   2.696587   2.698242   3.818376   2.271797
    20  H    2.729180   2.676935   2.575987   3.164630   2.889608
    21  H    4.073467   3.991933   3.327530   3.701741   3.009770
    22  H    4.043085   3.339290   3.916566   4.693546   3.575097
    23  H    4.839781   4.234936   4.207003   5.170893   2.760034
    24  H    5.070531   4.195856   4.659058   5.616611   3.510791
    25  H    5.060049   4.705551   4.146317   4.787938   2.918494
    26  H    1.093250   2.160329   2.118325   2.949605   3.042189
                    6          7          8          9         10
     6  C    0.000000
     7  C    1.563151   0.000000
     8  C    2.159153   1.549615   0.000000
     9  H    3.732169   3.425832   3.824949   0.000000
    10  H    3.495790   2.156096   2.948729   2.734334   0.000000
    11  H    2.809589   2.156641   3.433806   2.370133   1.748873
    12  H    4.412444   4.790337   4.550611   2.522686   4.916823
    13  H    3.852367   4.643505   4.097652   3.750241   5.512917
    14  H    2.288745   3.117139   2.291775   4.274776   4.719756
    15  C    1.521134   2.659923   3.556362   3.619567   4.040181
    16  C    1.527536   2.563925   2.883388   5.258422   4.698503
    17  H    2.273807   1.091819   2.280593   4.309459   2.442780
    18  H    2.620441   2.213772   1.086295   4.905968   3.811426
    19  H    3.141649   2.270529   1.089723   3.746117   2.823051
    20  H    2.192157   2.927607   3.816788   2.746467   3.732838
    21  H    2.156734   3.572594   4.189548   4.308309   5.067419
    22  H    2.160460   2.998707   4.187277   4.274177   4.272026
    23  H    2.195700   2.745962   2.632134   5.741415   4.870701
    24  H    2.163370   2.928281   3.639564   5.751302   4.925521
    25  H    2.165797   3.502148   3.627116   5.739718   5.600794
    26  H    3.809005   3.076607   2.897595   1.742790   2.296245
                   11         12         13         14         15
    11  H    0.000000
    12  H    4.511343   0.000000
    13  H    5.082483   1.847312   0.000000
    14  H    4.520703   3.729923   2.441998   0.000000
    15  C    2.707568   4.289973   3.985087   3.252542   0.000000
    16  C    4.119619   5.724812   4.799843   2.775831   2.478141
    17  H    2.567937   5.864699   5.710146   4.009757   3.261300
    18  H    4.316054   5.471628   4.748376   2.560406   4.135447
    19  H    3.763349   4.523962   4.329857   2.940967   4.408258
    20  H    2.273653   3.587224   3.730566   3.599698   1.087739
    21  H    3.762763   4.390189   3.774116   3.255141   1.092766
    22  H    2.799469   5.279534   5.075881   4.208655   1.093335
    23  H    4.671715   6.184594   5.173847   2.847885   3.454486
    24  H    4.205605   6.511544   5.738828   3.843716   2.710749
    25  H    4.877070   5.778336   4.603625   2.762375   2.715242
    26  H    2.994040   3.091644   3.909441   3.891578   4.354344
                   16         17         18         19         20
    16  C    0.000000
    17  H    2.763881   0.000000
    18  H    2.736871   2.558971   0.000000
    19  H    3.973109   2.934887   1.768102   0.000000
    20  H    3.455714   3.663622   4.609250   4.459254   0.000000
    21  H    2.691076   4.197609   4.654166   5.076688   1.753748
    22  H    2.729797   3.255202   4.667891   5.066697   1.765970
    23  H    1.089243   2.815006   2.090329   3.664579   4.339448
    24  H    1.093042   2.771234   3.486928   4.704542   3.736774
    25  H    1.092700   3.832192   3.467268   4.690854   3.717520
    26  H    5.194134   3.944943   3.939108   2.387286   3.818264
                   21         22         23         24         25
    21  H    0.000000
    22  H    1.764383   0.000000
    23  H    3.710505   3.739578   0.000000
    24  H    3.017667   2.504052   1.761447   0.000000
    25  H    2.467038   3.077800   1.762432   1.764521   0.000000
    26  H    5.083444   5.065841   5.342982   5.824895   5.802008
                   26
    26  H    0.000000
 Stoichiometry    C10H16
 Framework group  C1[X(C10H16)]
 Deg. of freedom    72
 Full point group                 C1      NOp   1
 RotChk:  IX=0 Diff= 6.48D-16
 Largest Abelian subgroup         C1      NOp   1
 Largest concise Abelian subgroup C1      NOp   1
                         Standard orientation:                         
 ---------------------------------------------------------------------
 Center     Atomic      Atomic             Coordinates (Angstroms)
 Number     Number       Type             X           Y           Z
 ---------------------------------------------------------------------
      1          6           0        1.736209    0.801878    0.378732
      2          6           0        0.496901    1.638940    0.787068
      3          6           0        1.383096   -0.522443   -0.274501
      4          6           0        2.201969   -1.569072   -0.279208
      5          6           0        0.025556   -0.542713   -0.909694
      6          6           0       -1.066183   -0.286051    0.196211
      7          6           0       -0.738063    1.227450   -0.016143
      8          6           0       -0.309046    0.871194   -1.461941
      9          1           0        2.398518    0.639455    1.229830
     10          1           0        0.705457    2.697786    0.618767
     11          1           0        0.292720    1.530390    1.853834
     12          1           0        3.163814   -1.541544    0.219131
     13          1           0        1.937671   -2.488500   -0.787055
     14          1           0       -0.114313   -1.410379   -1.555412
     15          6           0       -0.857617   -0.904210    1.570339
     16          6           0       -2.466835   -0.645129   -0.296336
     17          1           0       -1.560459    1.932149    0.122182
     18          1           0       -1.140268    0.855938   -2.161136
     19          1           0        0.507286    1.443130   -1.902380
     20          1           0        0.139287   -0.735039    1.971262
     21          1           0       -1.004924   -1.985930    1.522168
     22          1           0       -1.583414   -0.502658    2.282629
     23          1           0       -2.691969   -0.231611   -1.278562
     24          1           0       -3.219726   -0.269790    0.401530
     25          1           0       -2.582631   -1.729976   -0.357089
     26          1           0        2.317034    1.377511   -0.346860
 ---------------------------------------------------------------------
 Rotational constants (GHZ):           1.9111302           1.2981916           1.1547870
 Leave Link  202 at Thu Jul 22 19:48:50 2021, MaxMem= 17179869184 cpu:               0.2 elap:               0.1
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l301.exe)
 General basis read from cards:  (5D, 7F)
 Centers:       9     10     11     12     13     14     17     18     19     20
 Centers:      21     22     23     24     25     26
 S 3 1.00
     Exponent=  1.3010701000D+01 Coefficients=  1.9682158000D-02
     Exponent=  1.9622572000D+00 Coefficients=  1.3796524000D-01
     Exponent=  4.4453796000D-01 Coefficients=  4.7831935000D-01
 S 1 1.00
     Exponent=  1.2194962000D-01 Coefficients=  1.0000000000D+00
 P 1 1.00
     Exponent=  8.0000000000D-01 Coefficients=  1.0000000000D+00
 P 1 1.00
     Exponent=  1.1704099050D-01 Coefficients=  1.0000000000D+00
 ****
 Centers:       1      2      3      4      5      6      7      8     15     16
 S 5 1.00
     Exponent=  1.2384016938D+03 Coefficients=  5.4568832082D-03
     Exponent=  1.8629004992D+02 Coefficients=  4.0638409211D-02
     Exponent=  4.2251176346D+01 Coefficients=  1.8025593888D-01
     Exponent=  1.1676557932D+01 Coefficients=  4.6315121755D-01
     Exponent=  3.5930506482D+00 Coefficients=  4.4087173314D-01
 S 1 1.00
     Exponent=  4.0245147363D-01 Coefficients=  1.0000000000D+00
 S 1 1.00
     Exponent=  1.3090182668D-01 Coefficients=  1.0000000000D+00
 S 1 1.00
     Exponent=  6.7053540256D-02 Coefficients=  1.0000000000D+00
 P 3 1.00
     Exponent=  9.4680970621D+00 Coefficients=  3.8387871728D-02
     Exponent=  2.0103545142D+00 Coefficients=  2.1117025112D-01
     Exponent=  5.4771004707D-01 Coefficients=  5.1328172114D-01
 P 1 1.00
     Exponent=  1.5268613795D-01 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  8.0000000000D-01 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  1.1713185140D-01 Coefficients=  1.0000000000D+00
 ****
 Ernie: Thresh=  0.10000D-02 Tol=  0.10000D-05 Strict=F.
 There are   348 symmetry adapted cartesian basis functions of A   symmetry.
 There are   328 symmetry adapted basis functions of A   symmetry.
   328 basis functions,   480 primitive gaussians,   348 cartesian basis functions
    38 alpha electrons       38 beta electrons
       nuclear repulsion energy       571.0056832907 Hartrees.
 IExCor= 4639 DFT=T Ex+Corr=wB97XD ExCW=0 ScaHFX=  1.000000
 ScaDFX=  1.000000  1.000000  1.000000  1.000000 ScalE2=  1.000000  1.000000
 IRadAn=      5 IRanWt=     -1 IRanGd=            0 ICorTp=0 IEmpDi=121
 HFx  wShort=  0.000000 wLong=  0.200000 cFull=  0.222036 cShort=  0.000000 cLong=  0.777964
 DFx  wShort=  0.000000 wLong=  0.200000 cFull=  0.000000 cShort=  0.000000 cLong=  1.000000
 NAtoms=   26 NActive=   26 NUniq=   26 SFac= 1.00D+00 NAtFMM=   60 NAOKFM=F Big=F
 Integral buffers will be    131072 words long.
 Raffenetti 2 integral format.
 Two-electron integral symmetry is turned on.
 R6Disp:  Grimme-D2 Dispersion energy=       -0.0215388133 Hartrees.
 Nuclear repulsion after empirical dispersion term =      570.9841444774 Hartrees.
 Leave Link  301 at Thu Jul 22 19:48:51 2021, MaxMem= 17179869184 cpu:               7.6 elap:               0.7
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l302.exe)
 NPDir=0 NMtPBC=     1 NCelOv=     1 NCel=       1 NClECP=     1 NCelD=      1
         NCelK=      1 NCelE2=     1 NClLst=     1 CellRange=     0.0.
 One-electron integrals computed using PRISM.
 One-electron integral symmetry used in STVInt
 NBasis=   328 RedAO= T EigKep=  1.46D-05  NBF=   328
 NBsUse=   328 1.00D-06 EigRej= -1.00D+00 NBFU=   328
 Precomputing XC quadrature grid using
 IXCGrd= 4 IRadAn=           5 IRanWt=          -1 IRanGd=           0 AccXCQ= 0.00D+00.
 Generated NRdTot=       0 NPtTot=           0 NUsed=           0 NTot=          32
 NSgBfM=   348   348   348   348   348 MxSgAt=    26 MxSgA2=    26.
 Leave Link  302 at Thu Jul 22 19:48:52 2021, MaxMem= 17179869184 cpu:               4.3 elap:               0.4
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l303.exe)
 DipDrv:  MaxL=2.
 Leave Link  303 at Thu Jul 22 19:48:52 2021, MaxMem= 17179869184 cpu:               0.8 elap:               0.1
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l401.exe)
 Initial guess from the checkpoint file:  "06_betapinene_STD_wB97XD-def2SVPDr.chk"
 SCF N**3 symmetry information disabled.
 B after Tr=     0.000000    0.000000   -0.000000
         Rot=    1.000000   -0.000000   -0.000000    0.000000 Ang=   0.00 deg.
 Guess basis will be translated and rotated to current coordinates.
 JPrj=2 DoOrth=T DoCkMO=T.
 Leave Link  401 at Thu Jul 22 19:48:52 2021, MaxMem= 17179869184 cpu:               4.1 elap:               0.4
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l502.exe)
 Integral symmetry usage will be decided dynamically.
 Closed shell SCF:
 Using DIIS extrapolation, IDIIS=  1040.
 NGot= 17179869184 LenX= 17179619262 LenY= 17179497717
 Requested convergence on RMS density matrix=1.00D-08 within 120 cycles.
 Requested convergence on MAX density matrix=1.00D-06.
 Requested convergence on             energy=1.00D-06.
 No special actions if energy rises.
 Fock matrices will be formed incrementally for  20 cycles.

 Cycle   1  Pass 1  IDiag  1:
 FoFJK:  IHMeth= 1 ICntrl=       0 DoSepK=T KAlg= 0 I1Cent=           0 FoldK=F
 IRaf=         1 NMat=       1 IRICut=       1 DoRegI=T DoRafI=F ISym2E= 0 IDoP0=0 IntGTp=1.
 FoFCou: FMM=F IPFlag=           0 FMFlag=      100000 FMFlg1=           0
         NFxFlg=           0 DoJE=T BraDBF=F KetDBF=F FulRan=T
         wScrn=  0.000000 ICntrl=       500 IOpCl=  0 I1Cent=           0 NGrid=           0
         NMat0=    1 NMatS0=      1 NMatT0=    0 NMatD0=    1 NMtDS0=    0 NMtDT0=    0
 Symmetry not used in FoFCou.
 E= -390.285207864617    
 DIIS: error= 3.41D-03 at cycle   1 NSaved=   1.
 NSaved= 1 IEnMin= 1 EnMin= -390.285207864617     IErMin= 1 ErrMin= 3.41D-03
 ErrMax= 3.41D-03  0.00D+00 EMaxC= 1.00D-01 BMatC= 9.53D-03 BMatP= 9.53D-03
 IDIUse=3 WtCom= 9.66D-01 WtEn= 3.41D-02
 Coeff-Com:  0.100D+01
 Coeff-En:   0.100D+01
 Coeff:      0.100D+01
 Gap=     0.400 Goal=   None    Shift=    0.000
 GapD=    0.400 DampG=1.000 DampE=1.000 DampFc=1.0000 IDamp=-1.
 RMSDP=9.96D-03 MaxDP=9.60D-01              OVMax= 1.32D-02

 Cycle   2  Pass 1  IDiag  1:
 RMSU=  8.87D-03    CP:  1.19D+00
 E= -390.293141331158     Delta-E=       -0.007933466541 Rises=F Damp=F
 DIIS: error= 5.09D-04 at cycle   2 NSaved=   2.
 NSaved= 2 IEnMin= 2 EnMin= -390.293141331158     IErMin= 2 ErrMin= 5.09D-04
 ErrMax= 5.09D-04  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.46D-04 BMatP= 9.53D-03
 IDIUse=3 WtCom= 9.95D-01 WtEn= 5.09D-03
 Coeff-Com: -0.518D-01 0.105D+01
 Coeff-En:   0.000D+00 0.100D+01
 Coeff:     -0.515D-01 0.105D+01
 Gap=     0.399 Goal=   None    Shift=    0.000
 RMSDP=1.44D-03 MaxDP=1.66D-01 DE=-7.93D-03 OVMax= 4.71D-03

 Cycle   3  Pass 1  IDiag  1:
 RMSU=  5.34D-04    CP:  1.23D+00  1.12D+00
 E= -390.293392228173     Delta-E=       -0.000250897015 Rises=F Damp=F
 DIIS: error= 1.97D-04 at cycle   3 NSaved=   3.
 NSaved= 3 IEnMin= 3 EnMin= -390.293392228173     IErMin= 3 ErrMin= 1.97D-04
 ErrMax= 1.97D-04  0.00D+00 EMaxC= 1.00D-01 BMatC= 4.79D-05 BMatP= 1.46D-04
 IDIUse=3 WtCom= 9.98D-01 WtEn= 1.97D-03
 Coeff-Com: -0.345D-01 0.360D+00 0.674D+00
 Coeff-En:   0.000D+00 0.000D+00 0.100D+01
 Coeff:     -0.345D-01 0.360D+00 0.675D+00
 Gap=     0.398 Goal=   None    Shift=    0.000
 RMSDP=1.12D-04 MaxDP=5.71D-03 DE=-2.51D-04 OVMax= 1.04D-03

 Cycle   4  Pass 1  IDiag  1:
 RMSU=  1.01D-04    CP:  1.23D+00  1.13D+00  1.07D+00
 E= -390.293438742636     Delta-E=       -0.000046514463 Rises=F Damp=F
 DIIS: error= 7.28D-05 at cycle   4 NSaved=   4.
 NSaved= 4 IEnMin= 4 EnMin= -390.293438742636     IErMin= 4 ErrMin= 7.28D-05
 ErrMax= 7.28D-05  0.00D+00 EMaxC= 1.00D-01 BMatC= 3.80D-06 BMatP= 4.79D-05
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.429D-02-0.807D-02 0.177D+00 0.836D+00
 Coeff:     -0.429D-02-0.807D-02 0.177D+00 0.836D+00
 Gap=     0.398 Goal=   None    Shift=    0.000
 RMSDP=5.80D-05 MaxDP=3.65D-03 DE=-4.65D-05 OVMax= 7.66D-04

 Cycle   5  Pass 1  IDiag  1:
 RMSU=  3.44D-05    CP:  1.23D+00  1.13D+00  1.09D+00  7.76D-01
 E= -390.293442740811     Delta-E=       -0.000003998175 Rises=F Damp=F
 DIIS: error= 2.76D-05 at cycle   5 NSaved=   5.
 NSaved= 5 IEnMin= 5 EnMin= -390.293442740811     IErMin= 5 ErrMin= 2.76D-05
 ErrMax= 2.76D-05  0.00D+00 EMaxC= 1.00D-01 BMatC= 9.37D-07 BMatP= 3.80D-06
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.960D-03-0.338D-01 0.121D-01 0.372D+00 0.649D+00
 Coeff:      0.960D-03-0.338D-01 0.121D-01 0.372D+00 0.649D+00
 Gap=     0.398 Goal=   None    Shift=    0.000
 RMSDP=1.59D-05 MaxDP=5.83D-04 DE=-4.00D-06 OVMax= 3.93D-04

 Cycle   6  Pass 1  IDiag  1:
 RMSU=  9.31D-06    CP:  1.23D+00  1.13D+00  1.11D+00  8.56D-01  8.28D-01
 E= -390.293443650798     Delta-E=       -0.000000909987 Rises=F Damp=F
 DIIS: error= 6.78D-06 at cycle   6 NSaved=   6.
 NSaved= 6 IEnMin= 6 EnMin= -390.293443650798     IErMin= 6 ErrMin= 6.78D-06
 ErrMax= 6.78D-06  0.00D+00 EMaxC= 1.00D-01 BMatC= 5.18D-08 BMatP= 9.37D-07
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.716D-03-0.118D-01-0.120D-01 0.650D-01 0.240D+00 0.718D+00
 Coeff:      0.716D-03-0.118D-01-0.120D-01 0.650D-01 0.240D+00 0.718D+00
 Gap=     0.398 Goal=   None    Shift=    0.000
 RMSDP=4.16D-06 MaxDP=4.21D-04 DE=-9.10D-07 OVMax= 1.01D-04

 Cycle   7  Pass 1  IDiag  1:
 RMSU=  2.63D-06    CP:  1.23D+00  1.13D+00  1.11D+00  8.60D-01  8.59D-01
                    CP:  1.10D+00
 E= -390.293443704895     Delta-E=       -0.000000054097 Rises=F Damp=F
 DIIS: error= 1.21D-06 at cycle   7 NSaved=   7.
 NSaved= 7 IEnMin= 7 EnMin= -390.293443704895     IErMin= 7 ErrMin= 1.21D-06
 ErrMax= 1.21D-06  0.00D+00 EMaxC= 1.00D-01 BMatC= 2.00D-09 BMatP= 5.18D-08
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.134D-03-0.122D-02-0.396D-02-0.251D-02 0.271D-01 0.183D+00
 Coeff-Com:  0.798D+00
 Coeff:      0.134D-03-0.122D-02-0.396D-02-0.251D-02 0.271D-01 0.183D+00
 Coeff:      0.798D+00
 Gap=     0.398 Goal=   None    Shift=    0.000
 RMSDP=1.43D-06 MaxDP=1.39D-04 DE=-5.41D-08 OVMax= 1.62D-05

 Cycle   8  Pass 1  IDiag  1:
 RMSU=  8.44D-07    CP:  1.23D+00  1.13D+00  1.11D+00  8.60D-01  8.70D-01
                    CP:  1.16D+00  1.09D+00
 E= -390.293443707684     Delta-E=       -0.000000002789 Rises=F Damp=F
 DIIS: error= 6.34D-07 at cycle   8 NSaved=   8.
 NSaved= 8 IEnMin= 8 EnMin= -390.293443707684     IErMin= 8 ErrMin= 6.34D-07
 ErrMax= 6.34D-07  0.00D+00 EMaxC= 1.00D-01 BMatC= 3.90D-10 BMatP= 2.00D-09
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.523D-04 0.123D-02 0.150D-03-0.103D-01-0.238D-01-0.380D-01
 Coeff-Com:  0.291D+00 0.779D+00
 Coeff:     -0.523D-04 0.123D-02 0.150D-03-0.103D-01-0.238D-01-0.380D-01
 Coeff:      0.291D+00 0.779D+00
 Gap=     0.398 Goal=   None    Shift=    0.000
 RMSDP=5.76D-07 MaxDP=3.18D-05 DE=-2.79D-09 OVMax= 8.63D-06

 Cycle   9  Pass 1  IDiag  1:
 RMSU=  3.12D-07    CP:  1.23D+00  1.13D+00  1.11D+00  8.59D-01  8.74D-01
                    CP:  1.18D+00  1.18D+00  1.05D+00
 E= -390.293443708175     Delta-E=       -0.000000000491 Rises=F Damp=F
 DIIS: error= 1.25D-07 at cycle   9 NSaved=   9.
 NSaved= 9 IEnMin= 9 EnMin= -390.293443708175     IErMin= 9 ErrMin= 1.25D-07
 ErrMax= 1.25D-07  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.33D-11 BMatP= 3.90D-10
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.212D-04 0.366D-03 0.302D-03-0.219D-02-0.662D-02-0.222D-01
 Coeff-Com:  0.587D-02 0.155D+00 0.869D+00
 Coeff:     -0.212D-04 0.366D-03 0.302D-03-0.219D-02-0.662D-02-0.222D-01
 Coeff:      0.587D-02 0.155D+00 0.869D+00
 Gap=     0.398 Goal=   None    Shift=    0.000
 RMSDP=1.28D-07 MaxDP=3.90D-06 DE=-4.91D-10 OVMax= 1.84D-06

 Cycle  10  Pass 1  IDiag  1:
 RMSU=  7.37D-08    CP:  1.23D+00  1.13D+00  1.11D+00  8.59D-01  8.74D-01
                    CP:  1.19D+00  1.20D+00  1.12D+00  1.08D+00
 E= -390.293443708226     Delta-E=       -0.000000000051 Rises=F Damp=F
 DIIS: error= 3.34D-08 at cycle  10 NSaved=  10.
 NSaved=10 IEnMin=10 EnMin= -390.293443708226     IErMin=10 ErrMin= 3.34D-08
 ErrMax= 3.34D-08  0.00D+00 EMaxC= 1.00D-01 BMatC= 9.46D-13 BMatP= 1.33D-11
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.525D-06-0.143D-04 0.362D-04 0.258D-03 0.568D-03-0.102D-02
 Coeff-Com: -0.177D-01-0.282D-01 0.152D+00 0.894D+00
 Coeff:     -0.525D-06-0.143D-04 0.362D-04 0.258D-03 0.568D-03-0.102D-02
 Coeff:     -0.177D-01-0.282D-01 0.152D+00 0.894D+00
 Gap=     0.398 Goal=   None    Shift=    0.000
 RMSDP=3.48D-08 MaxDP=2.19D-06 DE=-5.06D-11 OVMax= 4.98D-07

 Cycle  11  Pass 1  IDiag  1:
 RMSU=  1.84D-08    CP:  1.23D+00  1.13D+00  1.11D+00  8.59D-01  8.74D-01
                    CP:  1.19D+00  1.20D+00  1.13D+00  1.14D+00  1.07D+00
 E= -390.293443708288     Delta-E=       -0.000000000062 Rises=F Damp=F
 DIIS: error= 1.34D-08 at cycle  11 NSaved=  11.
 NSaved=11 IEnMin=11 EnMin= -390.293443708288     IErMin=11 ErrMin= 1.34D-08
 ErrMax= 1.34D-08  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.63D-13 BMatP= 9.46D-13
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.153D-05-0.355D-04-0.109D-04 0.277D-03 0.759D-03 0.152D-02
 Coeff-Com: -0.703D-02-0.237D-01-0.168D-01 0.328D+00 0.717D+00
 Coeff:      0.153D-05-0.355D-04-0.109D-04 0.277D-03 0.759D-03 0.152D-02
 Coeff:     -0.703D-02-0.237D-01-0.168D-01 0.328D+00 0.717D+00
 Gap=     0.398 Goal=   None    Shift=    0.000
 RMSDP=9.23D-09 MaxDP=1.18D-06 DE=-6.21D-11 OVMax= 1.52D-07

 Cycle  12  Pass 1  IDiag  1:
 RMSU=  5.96D-09    CP:  1.23D+00  1.13D+00  1.11D+00  8.59D-01  8.74D-01
                    CP:  1.19D+00  1.20D+00  1.13D+00  1.14D+00  1.11D+00
                    CP:  1.06D+00
 E= -390.293443708233     Delta-E=        0.000000000055 Rises=F Damp=F
 DIIS: error= 3.17D-09 at cycle  12 NSaved=  12.
 NSaved=12 IEnMin=11 EnMin= -390.293443708288     IErMin=12 ErrMin= 3.17D-09
 ErrMax= 3.17D-09  0.00D+00 EMaxC= 1.00D-01 BMatC= 7.73D-15 BMatP= 1.63D-13
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.314D-06-0.529D-05-0.408D-05 0.294D-04 0.788D-04 0.353D-03
 Coeff-Com:  0.180D-03-0.187D-02-0.144D-01-0.185D-01 0.125D+00 0.910D+00
 Coeff:      0.314D-06-0.529D-05-0.408D-05 0.294D-04 0.788D-04 0.353D-03
 Coeff:      0.180D-03-0.187D-02-0.144D-01-0.185D-01 0.125D+00 0.910D+00
 Gap=     0.398 Goal=   None    Shift=    0.000
 RMSDP=2.72D-09 MaxDP=9.74D-08 DE= 5.50D-11 OVMax= 5.49D-08

 SCF Done:  E(RwB97XD) =  -390.293443708     A.U. after   12 cycles
            NFock= 12  Conv=0.27D-08     -V/T= 2.0129
 KE= 3.853399748433D+02 PE=-2.042672028763D+03 EE= 6.960544657338D+02
 Leave Link  502 at Thu Jul 22 19:50:21 2021, MaxMem= 17179869184 cpu:            1053.7 elap:              88.1
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l801.exe)
 DoSCS=F DFT=T ScalE2(SS,OS)=  1.000000  1.000000
 Range of M.O.s used for correlation:     1   328
 NBasis=   328 NAE=    38 NBE=    38 NFC=     0 NFV=     0
 NROrb=    328 NOA=    38 NOB=    38 NVA=   290 NVB=   290

 **** Warning!!: The largest alpha MO coefficient is  0.48764757D+02

 Leave Link  801 at Thu Jul 22 19:50:21 2021, MaxMem= 17179869184 cpu:               0.5 elap:               0.1
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l1002.exe)
 Minotr:  Closed shell wavefunction.
          Direct CPHF calculation.
          Differentiating once with respect to electric field.
                with respect to dipole field.
                with respect to quadrupole field.
          Differentiating once with respect to magnetic field using GIAOs.
          Electric field/nuclear overlap derivatives assumed to be zero.
          Requested convergence is 1.0D-08 RMS, and 1.0D-07 maximum.
          Secondary convergence is 1.0D-12 RMS, and 1.0D-12 maximum.
          NewPWx=F KeepS1=T KeepF1=T KeepIn=T MapXYZ=F SortEE=F KeepMc=T.
         7861 words used for storage of precomputed grid.
 Two-electron integral symmetry used by symmetrizing perturbed Fock matrices.
          MDV=   17179869184 using IRadAn=       1.
          Solving linear equations simultaneously, MaxMat=     384.
          Doing perturbations at frequencies    0.093368
 FoFCou: FMM=F IPFlag=           0 FMFlag=      100000 FMFlg1=           0
         NFxFlg=           0 DoJE=F BraDBF=F KetDBF=T FulRan=T
         wScrn=  0.000000 ICntrl=      6100 IOpCl=  0 I1Cent=           7 NGrid=          26
         NMat0=    1 NMatS0=      1 NMatT0=    0 NMatD0=    1 NMtDS0=    0 NMtDT0=    0
 Symmetry not used in FoFCou.
 FoFJK:  IHMeth= 1 ICntrl=    6127 DoSepK=T KAlg= 0 I1Cent=           0 FoldK=F
 IRaf=         1 NMat=       1 IRICut=       1 DoRegI=T DoRafI=F ISym2E= 0 IDoP0=0 IntGTp=1.
 CalDSu exits because no D1Ps are significant.
          There are    12 degrees of freedom in the 1st order CPHF.  IDoFFX=0 NUNeed=    12.
     11 vectors produced by pass  0 Test12= 1.84D-13 8.33D-09 XBig12= 1.00D+00 2.94D-01.
 AX will form    11 AO Fock derivatives at one time.
     11 vectors produced by pass  1 Test12= 1.84D-13 8.33D-09 XBig12= 1.27D-01 4.59D-02.
     11 vectors produced by pass  2 Test12= 1.84D-13 8.33D-09 XBig12= 2.15D-02 4.57D-02.
     11 vectors produced by pass  3 Test12= 1.84D-13 8.33D-09 XBig12= 2.26D-03 9.86D-03.
     11 vectors produced by pass  4 Test12= 1.84D-13 8.33D-09 XBig12= 1.74D-04 2.29D-03.
     11 vectors produced by pass  5 Test12= 1.84D-13 8.33D-09 XBig12= 8.86D-06 4.32D-04.
     11 vectors produced by pass  6 Test12= 1.84D-13 8.33D-09 XBig12= 2.68D-07 8.19D-05.
     11 vectors produced by pass  7 Test12= 1.84D-13 8.33D-09 XBig12= 8.76D-09 1.64D-05.
     11 vectors produced by pass  8 Test12= 1.84D-13 8.33D-09 XBig12= 1.89D-10 2.37D-06.
     11 vectors produced by pass  9 Test12= 1.84D-13 8.33D-09 XBig12= 4.35D-12 2.57D-07.
      8 vectors produced by pass 10 Test12= 1.84D-13 8.33D-09 XBig12= 7.44D-14 3.21D-08.
 InvSVY:  IOpt=1 It=  1 EMax= 2.84D-14
 Solved reduced A of dimension   118 with    12 vectors.
 FullF1:  Do perturbations      1 to      12.
 SCF Polarizability for W=    0.093368:
                1             2             3 
      1  0.126162D+03
      2 -0.786811D+01  0.118265D+03
      3  0.213566D+00  0.107159D+01  0.102976D+03
 Isotropic polarizability for W=    0.093368      115.80 Bohr**3.
 Dipole-quadrupole polarizability for W=    0.093368:
                 1             2             3 
      1   0.130255D+02 -0.311635D+02  0.378949D+01
      2   0.194692D+02 -0.827463D+01 -0.832366D+01
      3  -0.324948D+02  0.394382D+02  0.453417D+01
      4  -0.737167D+02  0.589753D+02  0.129794D+02
      5   0.575483D+01  0.189049D+02 -0.210465D+02
      6   0.973579D+01 -0.398885D+01 -0.959599D-01
 Dipole-magnetic dipole polarizability for W=    0.093368:
                 1             2             3 
      1   0.398659D+01 -0.356787D+01  0.245717D+01
      2   0.705218D+01  0.221055D+01 -0.724309D+01
      3   0.108937D+02 -0.988998D+01 -0.621501D+01
 DQ contribution to OR G for W=    0.093368:
                 1             2             3 
      1   0.592555D+01  0.433481D+01  0.395341D+02
      2  -0.196534D+01  0.324357D+01  0.114483D+02
      3  -0.425532D+02 -0.395061D+02 -0.916913D+01
 Optical Rotation G' tensor for W=    0.093368:
                 1             2             3 
      1  -0.520839D+00 -0.574892D+00 -0.371509D+01
      2  -0.574892D+00 -0.303314D+00  0.776042D+00
      3  -0.371509D+01  0.776042D+00  0.806291D+00
 OR G Eigenvalues:    -3.6322    -0.5121     4.1264  Iso=     0.0060
 Eigenvectors:
   (1)   0.765165  -0.017893   0.643586
   (2)   0.150300   0.976958  -0.151532
   (3)  -0.626045   0.212678   0.750223
 w=    0.093368 a.u., Optical Rotation Beta=      0.0060 au.
 Molar Mass =    136.2364 grams/mole, [Alpha] ( 4880.0 A) =        2.46 deg.
 PxScal for PaGxPb-FJK:  IOpCl= 0 ISclPx=1 IMOff=     1 NMtTot=    25 NTT=   53956 ScalPx= 3.10D+01
 PxSclF for G(T1ab):  IOpCl= 0 ISclPx=1 IMOff=     0 NMtTot=    36 NTT=   53956 IRwP= 19996     0 IPTmp= 19977     0 ScalPx= 9.99D+02
 FullF1:  Do perturbations      1 to      30.
          There are    36 degrees of freedom in the 2nd order CPHF.
     30 vectors produced by pass  0 Test12= 3.06D-14 2.78D-09 XBig12= 1.00D+00 2.87D-01.
     30 vectors produced by pass  1 Test12= 3.06D-14 2.78D-09 XBig12= 3.70D-02 3.60D-02.
     30 vectors produced by pass  2 Test12= 3.06D-14 2.78D-09 XBig12= 2.51D-03 5.50D-03.
     30 vectors produced by pass  3 Test12= 3.06D-14 2.78D-09 XBig12= 4.97D-05 8.01D-04.
     30 vectors produced by pass  4 Test12= 3.06D-14 2.78D-09 XBig12= 9.44D-07 1.27D-04.
     30 vectors produced by pass  5 Test12= 3.06D-14 2.78D-09 XBig12= 1.18D-08 1.44D-05.
     30 vectors produced by pass  6 Test12= 3.06D-14 2.78D-09 XBig12= 1.16D-10 1.18D-06.
     30 vectors produced by pass  7 Test12= 3.06D-14 2.78D-09 XBig12= 8.88D-13 8.70D-08.
      9 vectors produced by pass  8 Test12= 3.06D-14 2.78D-09 XBig12= 6.90D-15 6.50D-09.
 InvSVY:  IOpt=1 It=  1 EMax= 2.00D-15
 Solved reduced A of dimension   249 with    30 vectors.
 PxScal for FxTab-FJK:  IOpCl= 0 ISclPx=1 IMOff=     0 NMtTot=    30 NTT=   53956 ScalPx= 1.97D+03
 PxScal for FxTab-XC:  IOpCl= 0 ISclPx=1 IMOff=     0 NMtTot=    30 NTT=   53956 ScalPx= 1.97D+03
 PxSclF for G(Xab):  IOpCl= 0 ISclPx=1 IMOff=     0 NMtTot=    36 NTT=   53956 IRwP= 19978     0 IPTmp= 19973     0 ScalPx= 1.70D+03
 FullF1:  Do perturbations      1 to      30.
 End of Minotr F.D. properties on file   721 Mask=       B NFrqRd=     1 NDeriv=     1 ND12= 1 LenFil=      39:
 Frequencies=    0.093368
 Property number 1 -- Alpha(-w,w) frequency  1    0.093368:
                 1             2             3 
      1   0.126162D+03 -0.786811D+01  0.213566D+00
      2  -0.786811D+01  0.118265D+03  0.107159D+01
      3   0.213566D+00  0.107159D+01  0.102976D+03
 Property number 2 -- FD Optical Rotation Tensor frequency  1    0.093368:
                 1             2             3 
      1   0.398659D+01 -0.356787D+01  0.245717D+01
      2   0.705218D+01  0.221055D+01 -0.724309D+01
      3   0.108937D+02 -0.988998D+01 -0.621501D+01
 Property number 4 -- D-Q polarizability frequency  1    0.093368:
                 1             2             3 
      1   0.130255D+02 -0.311635D+02  0.378949D+01
      2   0.194692D+02 -0.827463D+01 -0.832366D+01
      3  -0.324948D+02  0.394382D+02  0.453417D+01
      4  -0.737167D+02  0.589753D+02  0.129794D+02
      5   0.575483D+01  0.189049D+02 -0.210465D+02
      6   0.973579D+01 -0.398885D+01 -0.959599D-01
 End of Minotr F.D. properties on file   722 Mask=       B NFrqRd=     1 NDeriv=    78 ND12= 1 LenFil=    2811:
 Frequencies=    0.093368
 Property number 1 -- Alpha(-w,w) derivatives, frequency  1    0.093368:
                 1             2             3             4             5 
      1  -0.140806D+01 -0.200203D+01 -0.165374D+01 -0.955771D+00  0.123722D+01
      2  -0.200203D+01 -0.159581D+01  0.114424D+01  0.123722D+01 -0.370763D+01
      3  -0.165374D+01  0.114424D+01 -0.261687D+01  0.180562D+01  0.115696D+01
                 6             7             8             9            10 
      1   0.180562D+01 -0.313644D+01  0.203541D+01 -0.324032D+01 -0.449341D-02
      2   0.115696D+01  0.203541D+01  0.254440D+01 -0.108758D+01  0.229495D+01
      3  -0.713199D-01 -0.324032D+01 -0.108758D+01 -0.700057D+00  0.168573D+01
                11            12            13            14            15 
      1   0.229495D+01  0.168573D+01  0.194342D+01 -0.293654D+01 -0.122372D+00
      2  -0.312386D+01 -0.575123D-01 -0.293654D+01 -0.602589D+01  0.730979D+00
      3  -0.575123D-01  0.188906D+01 -0.122372D+00  0.730979D+00  0.901766D+00
                16            17            18            19            20 
      1   0.217041D+01  0.768317D-01  0.187574D+01 -0.129004D+02  0.948932D+01
      2   0.768317D-01  0.136308D+01 -0.122088D+00  0.948932D+01 -0.774703D+01
      3   0.187574D+01 -0.122088D+00 -0.529276D+01  0.302130D+01 -0.688745D+00
                21            22            23            24            25 
      1   0.302130D+01  0.860999D+01 -0.806265D+01 -0.129021D+01  0.403353D+00
      2  -0.688745D+00 -0.806265D+01  0.108463D+02 -0.192863D+01  0.266217D+00
      3  -0.137522D+01 -0.129021D+01 -0.192863D+01  0.210977D+01 -0.106352D+01
                26            27            28            29            30 
      1   0.266217D+00 -0.106352D+01  0.727478D+01 -0.688215D+01 -0.541200D+01
      2  -0.186994D+01  0.132710D+01 -0.688215D+01  0.749679D+01  0.254191D+01
      3   0.132710D+01 -0.431479D-01 -0.541200D+01  0.254191D+01  0.216405D+01
                31            32            33            34            35 
      1  -0.918898D+01  0.869407D+01  0.436669D+00 -0.656455D+01  0.136023D+01
      2   0.869407D+01 -0.927951D+01  0.373308D+01  0.136023D+01  0.502881D+01
      3   0.436669D+00  0.373308D+01 -0.210362D+01  0.371745D+01 -0.357737D+01
                36            37            38            39            40 
      1   0.371745D+01  0.113276D+02 -0.549643D+01 -0.379523D+01 -0.197915D+01
      2  -0.357737D+01 -0.549643D+01  0.326918D+01 -0.396443D+00  0.257264D+01
      3  -0.785515D+00 -0.379523D+01 -0.396443D+00  0.229767D+01 -0.989438D+00
                41            42            43            44            45 
      1   0.257264D+01 -0.989438D+00 -0.659373D+01  0.269601D+00  0.296667D+01
      2   0.672021D+00  0.510592D+01  0.269601D+00  0.492031D+01  0.837089D+00
      3   0.510592D+01  0.881065D+00  0.296667D+01  0.837089D+00 -0.113863D+01
                46            47            48            49            50 
      1  -0.402386D+01  0.293653D+01  0.552372D+01  0.391422D+01 -0.440833D+01
      2   0.293653D+01 -0.247455D+01  0.630694D-01 -0.440833D+01 -0.660088D+01
      3   0.552372D+01  0.630694D-01 -0.215649D+01 -0.238582D+00 -0.245610D+00
                51            52            53            54            55 
      1  -0.238582D+00  0.103505D+02 -0.168696D+01 -0.258376D+01  0.151961D+01
      2  -0.245610D+00 -0.168696D+01  0.649610D+00  0.219591D+01 -0.298857D+01
      3   0.170826D+01 -0.258376D+01  0.219591D+01 -0.884219D+00 -0.233729D+01
                56            57            58            59            60 
      1  -0.298857D+01 -0.233729D+01 -0.314249D+01  0.547050D+01  0.816525D-01
      2   0.524149D+01 -0.165642D+00  0.547050D+01  0.365013D+01 -0.217915D+01
      3  -0.165642D+00 -0.134070D+01  0.816525D-01 -0.217915D+01  0.136411D+01
                61            62            63            64            65 
      1  -0.226962D+01 -0.566167D+00 -0.155347D+01 -0.979065D-01 -0.876341D+00
      2  -0.566167D+00 -0.268151D+01  0.553243D+00 -0.876341D+00 -0.369156D+01
      3  -0.155347D+01  0.553243D+00  0.463268D+01  0.386826D+01  0.242535D+01
                66            67            68            69            70 
      1   0.386826D+01  0.553781D+00 -0.403669D+01  0.303506D+01  0.361628D+01
      2   0.242535D+01 -0.403669D+01  0.380016D+01 -0.133491D+01  0.169992D+01
      3   0.180718D+01  0.303506D+01 -0.133491D+01 -0.258290D+01  0.141276D+01
                71            72            73            74            75 
      1   0.169992D+01  0.141276D+01  0.426357D+01  0.554660D+00  0.251259D+01
      2  -0.254212D+00 -0.206452D+01  0.554660D+00  0.126226D+01  0.398289D+00
      3  -0.206452D+01 -0.151110D+01  0.251259D+01  0.398289D+00  0.237852D+01
                76            77            78            79            80 
      1  -0.669149D+00  0.682347D+00 -0.512070D+00  0.367301D+01  0.215887D+00
      2   0.682347D+00 -0.508337D-01  0.529158D+00  0.215887D+00  0.673555D+00
      3  -0.512070D+00  0.529158D+00 -0.263075D+00  0.308064D+01  0.786218D+00
                81            82            83            84            85 
      1   0.308064D+01  0.904159D+00  0.141852D+01 -0.111591D+00  0.151927D+01
      2   0.786218D+00  0.141852D+01  0.176660D+01  0.199464D+00  0.193308D+01
      3   0.416491D+01 -0.111591D+00  0.199464D+00 -0.732006D-01  0.240744D+00
                86            87            88            89            90 
      1   0.193308D+01  0.240744D+00 -0.631223D+00 -0.190990D+00 -0.310050D-01
      2   0.114364D+02  0.753640D+00 -0.190990D+00 -0.122266D+01  0.111890D+01
      3   0.753640D+00  0.104255D+01 -0.310050D-01  0.111890D+01  0.422693D+00
                91            92            93            94            95 
      1  -0.796423D+00 -0.123137D+00  0.938448D+00 -0.392995D+00  0.132853D-01
      2  -0.123137D+00  0.177498D-01 -0.280910D+00  0.132853D-01  0.658962D+00
      3   0.938448D+00 -0.280910D+00 -0.122347D+01  0.153841D-01  0.893404D+00
                96            97            98            99           100 
      1   0.153841D-01  0.131918D+01 -0.434584D-01 -0.895098D+00  0.904190D+01
      2   0.893404D+00 -0.434584D-01  0.159556D+01  0.171705D+01 -0.237390D+01
      3  -0.169594D+00 -0.895098D+00  0.171705D+01  0.831091D+01  0.282692D+01
               101           102           103           104           105 
      1  -0.237390D+01  0.282692D+01 -0.635994D+00  0.145324D+01  0.457517D+00
      2   0.185122D+01 -0.837107D+00  0.145324D+01 -0.149613D+01 -0.271999D+00
      3  -0.837107D+00  0.151905D+01  0.457517D+00 -0.271999D+00  0.353240D-01
               106           107           108           109           110 
      1   0.517622D+01 -0.858844D+00  0.130453D+01  0.937502D+00 -0.116833D+01
      2  -0.858844D+00 -0.360094D-01  0.369262D-01 -0.116833D+01 -0.792489D+00
      3   0.130453D+01  0.369262D-01  0.113483D+01  0.196028D+00 -0.106743D+01
               111           112           113           114           115 
      1   0.196028D+00 -0.159691D+01  0.139795D+01  0.445982D+00  0.617673D-01
      2  -0.106743D+01  0.139795D+01 -0.806604D+01 -0.298065D+01 -0.785149D-01
      3  -0.585444D+00  0.445982D+00 -0.298065D+01 -0.185065D+01 -0.291720D+00
               116           117           118           119           120 
      1  -0.785149D-01 -0.291720D+00 -0.522634D+00 -0.964195D+00 -0.456969D+00
      2  -0.408993D+01 -0.145368D+01 -0.964195D+00 -0.685743D+00 -0.339300D+00
      3  -0.145368D+01 -0.133357D+01 -0.456969D+00 -0.339300D+00 -0.666068D+00
               121           122           123           124           125 
      1  -0.166800D+01 -0.494640D+00 -0.431460D+00 -0.285690D-01 -0.437493D+00
      2  -0.494640D+00 -0.517435D+01 -0.319255D+01 -0.437493D+00 -0.253863D+01
      3  -0.431460D+00 -0.319255D+01 -0.282021D+01 -0.554200D+00 -0.252943D+01
               126           127           128           129           130 
      1  -0.554200D+00 -0.237809D+01 -0.153756D+01 -0.434783D+01 -0.177200D+01
      2  -0.252943D+01 -0.153756D+01  0.124551D+01  0.210096D+00  0.201240D+01
      3  -0.351183D+01 -0.434783D+01  0.210096D+00  0.210397D+01  0.629251D+00
               131           132           133           134           135 
      1   0.201240D+01  0.629251D+00 -0.459173D+01  0.480948D+00  0.212408D+01
      2   0.640179D+01 -0.642343D+00  0.480948D+00  0.170473D+00 -0.254242D+01
      3  -0.642343D+00 -0.279362D+01  0.212408D+01 -0.254242D+01  0.133496D+00
               136           137           138           139           140 
      1  -0.416568D+00 -0.237699D+01 -0.392881D+01 -0.334072D+01  0.288308D+01
      2  -0.237699D+01  0.119534D+01  0.127392D+00  0.288308D+01  0.628028D+01
      3  -0.392881D+01  0.127392D+00  0.206298D+01  0.361058D+00  0.847797D+00
               141           142           143           144           145 
      1   0.361058D+00 -0.543531D+01  0.786428D+00  0.294735D+01 -0.587487D+01
      2   0.847797D+00  0.786428D+00  0.468186D+00 -0.255484D+01  0.398397D+01
      3  -0.277628D+01  0.294735D+01 -0.255484D+01  0.273729D+01  0.926442D+00
               146           147           148           149           150 
      1   0.398397D+01  0.926442D+00  0.315257D+01 -0.358627D+01 -0.219378D+00
      2  -0.430908D+01 -0.485594D+00 -0.358627D+01  0.506169D+01  0.896330D+00
      3  -0.485594D+00 -0.798748D+00 -0.219378D+00  0.896330D+00  0.798341D+00
               151           152           153           154           155 
      1   0.995094D+00 -0.341545D+00 -0.863743D+00 -0.402555D+01  0.102301D+01
      2  -0.341545D+00  0.109402D+01  0.118134D+01  0.102301D+01 -0.835005D+00
      3  -0.863743D+00  0.118134D+01  0.329321D+00 -0.335057D+01  0.468283D+00
               156           157           158           159           160 
      1  -0.335057D+01  0.101817D+00 -0.322722D+00 -0.126858D+00 -0.301134D+01
      2   0.468283D+00 -0.322722D+00  0.200056D+00 -0.850457D+00  0.378248D+00
      3  -0.377768D+01 -0.126858D+00 -0.850457D+00  0.504247D+00 -0.301549D+01
               161           162           163           164           165 
      1   0.378248D+00 -0.301549D+01  0.284339D+01  0.180807D+01 -0.231262D+01
      2  -0.111910D+01  0.120138D+01  0.180807D+01  0.264334D+01 -0.196994D+01
      3   0.120138D+01 -0.531627D+01 -0.231262D+01 -0.196994D+01  0.279911D+01
               166           167           168           169           170 
      1   0.118583D+01  0.186449D+01 -0.119920D+01 -0.136123D+01 -0.105049D+01
      2   0.186449D+01  0.282164D+01 -0.199246D+01 -0.105049D+01 -0.150600D+01
      3  -0.119920D+01 -0.199246D+01  0.243729D+01  0.126155D+01  0.210644D+01
               171           172           173           174           175 
      1   0.126155D+01  0.501656D+01  0.563914D+00  0.173755D+01  0.698102D+00
      2   0.210644D+01  0.563914D+00  0.891584D+00 -0.301168D+00  0.448570D+00
      3  -0.330943D+01  0.173755D+01 -0.301168D+00  0.262540D+01 -0.848076D-01
               176           177           178           179           180 
      1   0.448570D+00 -0.848076D-01  0.174420D+01 -0.189462D-01  0.132842D+01
      2  -0.341512D+00  0.329269D+00 -0.189462D-01  0.335458D+00  0.266718D+00
      3   0.329269D+00  0.595054D+00  0.132842D+01  0.266718D+00  0.207772D+01
               181           182           183           184           185 
      1  -0.419839D+00 -0.942725D+00  0.676748D+00 -0.141792D+01 -0.170461D+01
      2  -0.942725D+00 -0.922885D+00  0.162332D+00 -0.170461D+01 -0.841116D+01
      3   0.676748D+00  0.162332D+00 -0.564777D+00  0.394365D+00  0.206849D+01
               186           187           188           189           190 
      1   0.394365D+00  0.223139D+00 -0.101264D+00 -0.379440D+00 -0.364780D+01
      2   0.206849D+01 -0.101264D+00  0.556991D-02 -0.692167D+00  0.516423D+00
      3  -0.180074D+01 -0.379440D+00 -0.692167D+00  0.261727D+00  0.329901D+01
               191           192           193           194           195 
      1   0.516423D+00  0.329901D+01  0.149019D+01 -0.921719D+00 -0.113500D+01
      2  -0.109924D+01 -0.184642D+00 -0.921719D+00  0.289187D+00  0.970070D+00
      3  -0.184642D+00 -0.400446D+01 -0.113500D+01  0.970070D+00  0.225952D+01
               196           197           198           199           200 
      1   0.258633D+01 -0.255348D+00 -0.302925D+01 -0.125397D+01  0.837882D+00
      2  -0.255348D+00  0.727607D+00  0.755876D+00  0.837882D+00 -0.339387D+00
      3  -0.302925D+01  0.755876D+00  0.539666D+01 -0.120931D+01  0.291393D+00
               201           202           203           204           205 
      1  -0.120931D+01  0.178376D+01 -0.606434D+00  0.569429D+00 -0.259661D+01
      2   0.291393D+00 -0.606434D+00  0.374888D+00 -0.108031D+01  0.712130D-01
      3  -0.156910D+01  0.569429D+00 -0.108031D+01  0.169176D+01 -0.260862D+01
               206           207           208           209           210 
      1   0.712130D-01 -0.260862D+01 -0.699148D+01  0.102758D+01  0.258341D+01
      2  -0.134098D+01  0.130372D+01  0.102758D+01 -0.965510D+00 -0.430253D+00
      3   0.130372D+01 -0.558986D+01  0.258341D+01 -0.430253D+00 -0.181202D+01
               211           212           213           214           215 
      1   0.298868D+01 -0.159535D+01 -0.787261D+00  0.543356D+01 -0.513005D+00
      2  -0.159535D+01  0.365486D+00  0.569151D+00 -0.513005D+00  0.937269D+00
      3  -0.787261D+00  0.569151D+00  0.108264D+01 -0.264441D+01  0.705615D+00
               216           217           218           219           220 
      1  -0.264441D+01 -0.114809D+01 -0.104765D+01  0.209247D+00 -0.313171D+01
      2   0.705615D+00 -0.104765D+01 -0.929285D+00 -0.102988D+00 -0.345024D+01
      3   0.223309D+01  0.209247D+00 -0.102988D+00 -0.223056D+00 -0.479497D+00
               221           222           223           224           225 
      1  -0.345024D+01 -0.479497D+00  0.398215D+00 -0.229604D+00 -0.829349D+00
      2  -0.796636D+01 -0.711498D+00 -0.229604D+00 -0.466064D+00 -0.737571D+00
      3  -0.711498D+00 -0.105712D+01 -0.829349D+00 -0.737571D+00 -0.470295D+00
               226           227           228           229           230 
      1   0.278095D+01  0.232518D+01 -0.108945D+01  0.195018D+01  0.146330D+01
      2   0.232518D+01  0.263036D+01 -0.724150D+00  0.146330D+01  0.426131D+01
      3  -0.108945D+01 -0.724150D+00  0.114030D+01 -0.856603D+00 -0.117368D+01
               231           232           233           234 
      1  -0.856603D+00 -0.193086D+01 -0.126831D+01  0.156421D+01
      2  -0.117368D+01 -0.126831D+01 -0.338888D+01  0.126815D+01
      3   0.877428D+00  0.156421D+01  0.126815D+01 -0.194860D+01
 Property number 2 -- FD Optical Rotation Tensor derivatives, frequency  1    0.093368:
                 1             2             3             4             5 
      1   0.158624D+01 -0.142092D+01  0.303199D+01  0.706345D+00 -0.296460D+01
      2  -0.648277D+01  0.729624D+01 -0.434678D+01  0.587669D+01  0.464822D+01
      3   0.837019D+01 -0.774650D+01 -0.702163D+01 -0.225826D+01  0.523150D+01
                 6             7             8             9            10 
      1  -0.124441D+01  0.331584D+01  0.904553D+01  0.208511D+01 -0.175877D+01
      2  -0.401443D+00 -0.910724D+01 -0.592239D+01 -0.393260D+00  0.207766D+01
      3  -0.157459D+01 -0.950634D+01 -0.274379D+01 -0.251985D+01 -0.710101D+00
                11            12            13            14            15 
      1  -0.292621D+01 -0.395291D+01 -0.271173D+01 -0.101427D+02 -0.380396D+01
      2  -0.234756D+01  0.406511D+00 -0.310404D+01  0.212131D+01  0.426208D+00
      3   0.693690D+01  0.471102D+01  0.114791D+02 -0.474800D+01 -0.276283D+00
                16            17            18            19            20 
      1  -0.507705D+01  0.497028D+01  0.139147D+02 -0.254890D+01  0.171946D+01
      2  -0.487705D+01  0.776821D+00 -0.476596D+01  0.141187D+01  0.560907D+01
      3   0.609931D+01  0.548996D-01  0.311670D+01  0.323807D+01 -0.246696D+01
                21            22            23            24            25 
      1  -0.490839D+01 -0.435599D+00 -0.880523D+01  0.572232D+01 -0.874153D+01
      2  -0.353128D+01  0.344316D+01 -0.650700D+01  0.640276D+01 -0.137651D+02
      3  -0.357846D+01  0.121036D+02 -0.172433D+02  0.630761D+01  0.646380D+00
                26            27            28            29            30 
      1   0.140362D+02  0.182588D+01 -0.755153D+01 -0.716294D-01  0.432220D+01
      2   0.845184D+01 -0.234287D+01 -0.716961D+01  0.413987D+01  0.553420D+01
      3   0.327534D+01 -0.681302D+00  0.839790D+01 -0.126451D+02  0.304704D+01
                31            32            33            34            35 
      1  -0.406965D+01  0.107083D+02 -0.722216D+01  0.203395D+01 -0.104974D+01
      2  -0.295995D+01  0.142273D+02 -0.676833D+01 -0.469920D+00 -0.512487D+01
      3  -0.173580D+01  0.571514D+01 -0.107743D+02  0.866950D+01 -0.164337D+02
                36            37            38            39            40 
      1   0.325700D+01 -0.863615D+00 -0.139932D+01  0.229981D+01 -0.442406D+01
      2  -0.191797D+01  0.102422D+02 -0.661995D+01 -0.159279D+01 -0.297406D+01
      3   0.262908D+01 -0.207506D+01 -0.828396D+00  0.136650D+01  0.810210D+01
                41            42            43            44            45 
      1   0.736187D+01 -0.870938D+01  0.626422D+01 -0.398246D+01 -0.201733D+01
      2   0.353929D+01 -0.151780D+01 -0.149290D+02  0.406958D+01  0.375535D+01
      3  -0.439885D+01 -0.165648D+01  0.260642D+01  0.421593D+00 -0.216855D+01
                46            47            48            49            50 
      1   0.343468D+01 -0.299261D+00 -0.149409D+01 -0.170228D+01 -0.356370D+01
      2  -0.125258D+02  0.717388D+00  0.867327D+01  0.284210D+01 -0.865449D+00
      3   0.349809D+01 -0.969997D+01 -0.138221D+01 -0.788900D+00 -0.122044D+02
                51            52            53            54            55 
      1  -0.200420D+01 -0.339748D+01  0.774404D+01  0.390095D+00  0.327753D+01
      2  -0.352875D+01  0.270674D+01 -0.662860D+01  0.353686D+01  0.235491D+01
      3  -0.985801D+00 -0.475459D+01  0.569925D+00  0.674534D+01 -0.252536D+01
                56            57            58            59            60 
      1   0.143365D+01  0.490505D+01  0.220020D+01  0.404114D+01 -0.485334D+01
      2   0.241990D+01  0.419540D+01  0.142886D+01  0.167318D+01 -0.116286D+01
      3  -0.453731D+01 -0.396561D+01  0.308537D+01  0.125908D+02 -0.183356D+01
                61            62            63            64            65 
      1   0.324413D+01  0.202509D+01 -0.105758D+02 -0.133008D+01  0.359395D+01
      2  -0.166250D+01 -0.243546D+01 -0.561533D+01 -0.236417D+01 -0.559053D+01
      3  -0.504268D+01 -0.330362D+01 -0.313417D+01  0.589035D+00 -0.705467D+01
                66            67            68            69            70 
      1  -0.960636D+01  0.660557D+01 -0.798886D+01  0.375848D+01 -0.706914D+01
      2   0.111898D+02 -0.309512D+01 -0.702184D+01  0.851087D+01  0.408230D+01
      3   0.706208D+01 -0.129205D+01 -0.135513D+01  0.305592D+01  0.504991D+01
                71            72            73            74            75 
      1   0.710072D+01  0.845194D+01 -0.280764D+01  0.661646D+00 -0.280993D+01
      2   0.659010D+01  0.610134D+01  0.254281D+01  0.125128D+01  0.585845D+01
      3   0.184853D+01  0.156782D+01  0.367803D+01 -0.367992D+01  0.227003D+01
                76            77            78            79            80 
      1   0.284018D+00 -0.116802D+00 -0.120746D+00 -0.295007D+01  0.123186D+01
      2  -0.506634D+00  0.542658D+00 -0.722527D+00  0.273703D+01  0.188687D+01
      3  -0.334579D+00  0.208220D+01 -0.116544D+01  0.436875D+01 -0.246792D+01
                81            82            83            84            85 
      1  -0.427355D+01  0.161404D+01  0.175633D+01  0.540862D-01  0.110312D+01
      2   0.873780D+01 -0.961873D+00 -0.105785D+01  0.137324D+01 -0.162506D+01
      3   0.236072D+01  0.195769D+01  0.356083D+00 -0.620629D+00  0.552468D+01
                86            87            88            89            90 
      1   0.913203D+01 -0.467402D+01  0.145832D+00 -0.217978D+01  0.294484D+00
      2  -0.135442D+01  0.857059D+00 -0.747890D-01  0.461557D+00  0.131839D+00
      3  -0.275012D+01  0.386560D+00 -0.183959D+01  0.561561D+00 -0.586972D+00
                91            92            93            94            95 
      1  -0.237286D+01 -0.413169D+00  0.264232D+01 -0.594696D+00 -0.156445D+01
      2   0.140537D+01  0.425592D+00 -0.727950D+00  0.103914D+01  0.546620D+00
      3  -0.222936D+01 -0.207725D+01  0.175800D+01 -0.641006D+00  0.877502D+00
                96            97            98            99           100 
      1   0.125145D+01  0.236484D+01  0.169404D+01 -0.171010D+02  0.706058D+01
      2  -0.384905D+00 -0.519035D+01  0.705455D+00  0.528114D+01  0.100623D+02
      3  -0.516968D+00  0.357207D+01 -0.659052D+00 -0.208675D+01 -0.104219D+02
               101           102           103           104           105 
      1  -0.113520D+01  0.339975D+01  0.252967D+00  0.224584D+00 -0.136315D+00
      2  -0.463803D+01  0.811535D+01  0.119309D+01 -0.129975D+01  0.573250D+00
      3  -0.336822D+01 -0.336026D+01 -0.126131D+01  0.765950D+00  0.377492D-01
               106           107           108           109           110 
      1   0.315299D+01  0.894192D+00  0.175172D+01  0.200485D+01 -0.188754D+01
      2   0.208541D+01  0.220035D+01  0.508648D+01 -0.100206D+00 -0.268705D+01
      3  -0.836522D+01  0.112927D+01 -0.187419D+01  0.271784D+01  0.334203D+01
               111           112           113           114           115 
      1  -0.181064D+01  0.143078D+01 -0.255109D+01 -0.535105D+01 -0.213781D+01
      2  -0.816474D+00 -0.122698D+01 -0.682044D+01 -0.385013D+01 -0.103459D+01
      3   0.236282D+01  0.224043D+01  0.184637D+02  0.739111D+01  0.909496D+00
               116           117           118           119           120 
      1   0.143854D+01 -0.344177D+01  0.753774D+00  0.512371D+00 -0.176339D+00
      2  -0.456379D+01 -0.260833D+01 -0.502395D+00 -0.738837D+00  0.632703D+00
      3   0.117385D+02  0.386357D+01  0.104821D+00 -0.554551D+00  0.592466D-02
               121           122           123           124           125 
      1  -0.231955D+00  0.556250D+01 -0.114553D+01 -0.390436D-02  0.315287D+01
      2  -0.292402D+01 -0.269543D+00  0.228012D+00 -0.242133D+01 -0.480301D+00
      3   0.468711D+01  0.131948D-01  0.108928D+00  0.125795D+01  0.115014D+00
               126           127           128           129           130 
      1  -0.964236D+00 -0.829551D+01  0.213500D+01  0.272316D+01  0.552914D+01
      2  -0.430047D+00  0.122143D+02  0.122393D+01  0.939225D+01  0.209515D+01
      3   0.211957D+00  0.196875D+01  0.111443D+01  0.624033D+01  0.581585D+01
               131           132           133           134           135 
      1   0.138105D+02 -0.822277D+01  0.300964D+01 -0.364712D+00 -0.578567D+01
      2  -0.232680D+01  0.232299D+01  0.485724D+01  0.283488D+01 -0.417787D+01
      3   0.656729D+01 -0.101138D+01  0.623404D+01  0.624294D-01 -0.552682D+01
               136           137           138           139           140 
      1  -0.178729D+01  0.756846D-01  0.228402D+01 -0.978355D+00 -0.135376D+01
      2   0.103240D+02 -0.218674D+01 -0.698760D+01 -0.304242D+01 -0.194162D+01
      3  -0.804322D+01  0.447191D+01  0.339627D+01  0.135310D+02  0.184657D+02
               141           142           143           144           145 
      1  -0.504962D+01  0.362262D+01 -0.900219D+00  0.387655D+01 -0.154740D+01
      2   0.907976D+01 -0.167940D+02  0.860068D+01 -0.100320D+02  0.534879D-01
      3   0.310826D+01  0.368752D+01  0.278458D+01 -0.111425D+02 -0.722445D+01
               146           147           148           149           150 
      1   0.183962D+00  0.293843D+01  0.376232D+00 -0.133329D+01 -0.392606D+01
      2   0.442791D+00  0.319843D+01 -0.400235D+00 -0.512183D+00 -0.224025D+01
      3  -0.852180D+00  0.952614D+00  0.432165D+01  0.212575D+00  0.204637D+00
               151           152           153           154           155 
      1   0.166221D+01 -0.701377D+00 -0.540912D+00  0.221018D+01  0.240945D+01
      2  -0.249178D+00 -0.115868D+01 -0.466571D+00 -0.774756D+01  0.146652D+01
      3   0.158863D+01  0.103786D+01 -0.242851D+00 -0.478822D+01 -0.110635D+01
               156           157           158           159           160 
      1   0.442576D+01  0.739993D+00  0.103637D+01 -0.241178D-01  0.355067D+01
      2  -0.328294D+01  0.683621D+00  0.160767D+00 -0.135555D+01 -0.706480D+01
      3  -0.366046D+01  0.140152D+01  0.342416D+00 -0.913412D+00 -0.360387D+01
               161           162           163           164           165 
      1   0.268102D+01  0.316615D+01 -0.136005D+01 -0.453377D+01 -0.519581D+00
      2  -0.805791D+00 -0.168220D+01  0.891589D+01  0.445671D+01 -0.358762D+01
      3  -0.148605D+01 -0.264479D+01  0.545483D+01  0.144540D+01 -0.314085D+01
               166           167           168           169           170 
      1  -0.226075D+01 -0.384625D+01 -0.136875D+01  0.360860D+00  0.225140D+01
      2   0.428604D+01  0.465914D+01 -0.289874D+01 -0.469376D+01 -0.304767D+01
      3   0.434336D+01  0.195133D+01 -0.211645D+01 -0.275980D+01 -0.607905D+00
               171           172           173           174           175 
      1  -0.203887D-01  0.393125D+01  0.328588D+01  0.210173D+01  0.202595D+01
      2   0.285216D+01 -0.169327D+02 -0.160667D+01 -0.362891D+01 -0.193936D+01
      3   0.223373D+01 -0.690510D+01 -0.201471D+01 -0.243394D+01  0.517729D+00
               176           177           178           179           180 
      1   0.692767D+00  0.218059D+00  0.199183D+01  0.206823D+01  0.239895D+01
      2  -0.163991D+01 -0.577437D+00 -0.674471D+01 -0.555966D+00 -0.362609D+01
      3  -0.116338D+01  0.663539D-01 -0.239030D+01 -0.661917D+00 -0.143626D+01
               181           182           183           184           185 
      1  -0.108063D+01 -0.172016D+01 -0.591547D+00 -0.295099D+01 -0.153744D+02
      2  -0.629534D+00  0.105942D+01  0.620273D+00  0.276214D+01 -0.236701D+00
      3  -0.108136D+01 -0.953585D+00  0.200123D-01  0.306273D+01 -0.855364D+01
               186           187           188           189           190 
      1  -0.143279D+01 -0.405182D+00  0.547171D+00 -0.133220D+01  0.486273D+01
      2   0.194400D+01 -0.838146D+00  0.312748D+00  0.517598D+00  0.406071D+01
      3   0.216650D+01 -0.102699D+00 -0.210064D+00 -0.172523D+00  0.358926D+01
               191           192           193           194           195 
      1  -0.383607D+01 -0.468043D+01 -0.279658D+01  0.226253D+01  0.309666D+01
      2  -0.112025D+01  0.592098D+00 -0.237608D+01  0.181127D+00 -0.126182D+01
      3  -0.348996D+01 -0.322460D+01 -0.145021D+01  0.147564D+01  0.193545D+01
               196           197           198           199           200 
      1  -0.393582D+01  0.442042D+01  0.701954D+01 -0.166771D+01  0.690598D+00
      2  -0.468901D+01 -0.906976D-01 -0.895848D+00  0.298687D+01  0.441419D-01
      3  -0.282617D+01  0.214531D+01  0.367232D+01  0.300578D+01 -0.185130D+01
               201           202           203           204           205 
      1  -0.985634D+00  0.369345D+00 -0.155796D+01  0.124903D+01 -0.124340D+01
      2   0.461727D+01  0.687923D+00  0.336890D+01 -0.614190D+01  0.284405D+01
      3   0.149584D+01 -0.910783D+00  0.221538D+01 -0.380426D+01  0.114489D+01
               206           207           208           209           210 
      1   0.435122D+01 -0.497979D+01  0.168377D+01 -0.785142D+00 -0.914332D+00
      2  -0.515561D+01  0.171518D+02 -0.907971D+01  0.163199D+01  0.917712D+01
      3  -0.557714D+01  0.613943D+01  0.778117D+01 -0.610548D+01 -0.292326D+01
               211           212           213           214           215 
      1  -0.295755D+00  0.784582D+00 -0.287025D+00 -0.165073D+01  0.160138D+01
      2   0.277684D+01 -0.218621D+01 -0.431552D+01  0.744806D+01 -0.258963D+01
      3  -0.455385D+01  0.236604D+01  0.209310D+01 -0.398522D+01  0.443483D+01
               216           217           218           219           220 
      1   0.937503D+00  0.550645D+00  0.318113D+00 -0.414570D+00  0.364930D+00
      2  -0.862870D+01 -0.692909D+00  0.170689D-01  0.182209D+01  0.231664D+00
      3   0.384543D+01 -0.272701D+01 -0.351825D+01 -0.567972D+00 -0.425278D+01
               221           222           223           224           225 
      1   0.260475D+01 -0.369200D+01 -0.511393D+00  0.429050D+00 -0.365726D+00
      2   0.999996D+00  0.379166D+01  0.155324D+01  0.148107D+01  0.109745D+01
      3  -0.226301D+02 -0.162986D+01 -0.989995D+00 -0.156497D+01 -0.138094D+01
               226           227           228           229           230 
      1   0.200171D+01  0.165230D+01 -0.226355D+01  0.135855D+01  0.240633D+01
      2  -0.335799D+01 -0.307358D+01  0.459917D+01 -0.317246D+01 -0.368659D+01
      3  -0.168468D+01 -0.225934D+01  0.656943D+00  0.235334D+01 -0.822455D+01
               231           232           233           234 
      1  -0.352307D+01 -0.153177D+01 -0.336173D+01  0.256321D+01
      2   0.299140D+01  0.320135D+01  0.412259D+01 -0.677515D+01
      3   0.150494D+01  0.331593D+00  0.553655D+01 -0.787671D+00
 Property number 4 -- D-Q polarizability derivatives, frequency  1    0.093368:
                 1             2             3             4             5 
      1  -0.536748D+01 -0.977211D+01 -0.620388D+01 -0.366329D+01 -0.168242D+00
      2   0.520837D+01  0.625743D+01  0.860446D+01  0.183155D+01  0.178325D+01
      3   0.159112D+00  0.351468D+01 -0.240058D+01  0.183174D+01 -0.161500D+01
      4  -0.701635D+01 -0.175009D+02  0.319911D+01 -0.287482D+01 -0.206376D+02
      5  -0.882821D+01  0.972773D+00 -0.160911D+02  0.677140D+01  0.476735D+01
      6  -0.150298D+01  0.731490D+01 -0.243580D+01  0.496270D+01  0.437436D+01
                 6             7             8             9            10 
      1   0.723601D+01 -0.796290D+01  0.785563D+01 -0.129074D+02 -0.636539D+01
      2  -0.238491D+01  0.113351D+02 -0.131968D+00  0.107301D+02  0.589148D+01
      3  -0.485110D+01 -0.337224D+01 -0.772367D+01  0.217735D+01  0.473912D+00
      4   0.782149D+01  0.840864D+01  0.170197D+02 -0.113028D+02 -0.223030D+00
      5   0.119496D+01 -0.197793D+02 -0.515897D+01 -0.862491D+01  0.223216D+01
      6  -0.180895D+01 -0.562711D+01 -0.597382D+01  0.405253D+00  0.784260D+01
                11            12            13            14            15 
      1   0.929596D+01 -0.151769D+01  0.118634D+02  0.193604D+02 -0.273542D+01
      2  -0.130978D+02 -0.598758D+00 -0.142556D+02 -0.408931D+02  0.103554D+01
      3   0.380183D+01  0.211645D+01  0.239223D+01  0.215327D+02  0.169988D+01
      4  -0.120561D+01  0.235392D+01  0.156086D+01 -0.129113D+02 -0.548941D+00
      5   0.143201D+01  0.193465D+01  0.109507D+01 -0.338458D+01  0.649582D+00
      6  -0.164575D+01  0.674883D+01 -0.320870D+01 -0.282502D+01  0.431623D+01
                16            17            18            19            20 
      1  -0.144287D+01 -0.432765D+01  0.138184D+02 -0.191730D+02  0.105162D+02
      2  -0.301683D+01  0.106054D+02  0.833217D+01 -0.675499D+01  0.107992D+02
      3   0.445969D+01 -0.627776D+01 -0.221505D+02  0.259280D+02 -0.213154D+02
      4   0.241305D+01 -0.131362D+01  0.414612D+01  0.548506D+02 -0.385075D+02
      5   0.367744D+01  0.104609D+01  0.299470D+01  0.197409D+02 -0.799267D+01
      6   0.609837D+01  0.195932D+01 -0.161208D+02 -0.103414D+02  0.307583D+01
                21            22            23            24            25 
      1   0.109709D+02  0.210752D+02 -0.175352D+02 -0.817098D+01  0.277620D+00
      2  -0.601504D+01 -0.627576D+00 -0.872030D+01  0.122442D+02 -0.141867D+01
      3  -0.495585D+01 -0.204476D+02  0.262555D+02 -0.407322D+01  0.114105D+01
      4  -0.841591D+01 -0.469151D+02  0.610584D+02 -0.138756D+01 -0.474583D+01
      5  -0.686547D+01 -0.149931D+02  0.347014D+01  0.125306D+02  0.702497D+01
      6   0.864781D+01  0.573918D+01  0.137994D+01 -0.501041D+01  0.173311D+01
                26            27            28            29            30 
      1  -0.334969D+01 -0.429047D+01  0.880423D+01 -0.127677D+02 -0.212976D+02
      2   0.685843D+01 -0.840511D+01  0.529145D+01 -0.713070D+01  0.128346D+02
      3  -0.350875D+01  0.126956D+02 -0.140957D+02  0.198984D+02  0.846295D+01
      4  -0.399580D+01  0.104522D+02 -0.376526D+02  0.446313D+02  0.204102D+02
      5   0.310483D+01 -0.454959D+01 -0.398863D+02  0.176994D+02  0.146931D+02
      6   0.488511D+01 -0.145442D+01  0.205807D+02 -0.134353D+02 -0.801441D+01
                31            32            33            34            35 
      1  -0.138435D+02  0.200370D+02  0.150122D+02 -0.371322D+02  0.253518D+02
      2  -0.115398D+02  0.799263D+01 -0.194201D+02  0.240257D+02 -0.306557D+02
      3   0.253833D+02 -0.280296D+02  0.440789D+01  0.131065D+02  0.530398D+01
      4   0.528073D+02 -0.539513D+02  0.954238D+01  0.170183D+02  0.116018D+02
      5   0.571156D+01  0.971642D+01 -0.961309D+01  0.255888D+02 -0.200969D+02
      6  -0.366365D+01 -0.192485D+02  0.617785D+01 -0.154600D+02  0.155256D+02
                36            37            38            39            40 
      1   0.402828D+01  0.632066D+01 -0.582105D+01  0.244485D+01 -0.911346D+01
      2  -0.361303D+01  0.383931D+01  0.189935D+00 -0.449506D+01 -0.799134D+00
      3  -0.415251D+00 -0.101600D+02  0.563112D+01  0.205021D+01  0.991260D+01
      4  -0.194799D+02 -0.303752D+02  0.116171D+02  0.543481D+01  0.454948D+01
      5  -0.105709D+02 -0.378925D+01  0.927555D+00  0.704738D+00  0.256698D+01
      6  -0.133755D+01  0.493984D+01 -0.711070D+01 -0.386990D+01 -0.727370D+01
                41            42            43            44            45 
      1   0.226195D+02  0.662306D+01  0.123206D+02  0.433803D+01  0.405038D+01
      2  -0.497727D+01 -0.282119D+01 -0.799997D+01 -0.675495D+01 -0.418606D+00
      3  -0.176422D+02 -0.380187D+01 -0.432067D+01  0.241692D+01 -0.363177D+01
      4  -0.837594D+01 -0.133971D+01  0.125965D+02 -0.474344D+01 -0.685580D+01
      5  -0.511227D+01  0.253849D+01 -0.469704D+01  0.286654D+01 -0.153821D+01
      6  -0.234995D+01 -0.182170D+02 -0.235884D+01 -0.147823D+02 -0.952084D+00
                46            47            48            49            50 
      1  -0.140334D+02 -0.442792D+01 -0.121531D+02 -0.202584D+01  0.190300D+01
      2   0.149766D+01  0.211262D+01  0.101327D+02  0.547211D+01 -0.186580D+01
      3   0.125357D+02  0.231530D+01  0.202047D+01 -0.344627D+01 -0.371953D-01
      4   0.324563D+01  0.228575D+01 -0.882847D+01  0.573191D+00  0.181457D+02
      5  -0.123830D+02 -0.178411D+01  0.687553D+01 -0.829669D+00 -0.194930D+01
      6  -0.579604D+01  0.361114D+00  0.383131D+01  0.911118D+00 -0.705623D+01
                51            52            53            54            55 
      1  -0.598067D+01 -0.156587D+02 -0.462655D+01  0.853770D+01 -0.290839D+01
      2  -0.226794D+01  0.117979D+02  0.187458D+01 -0.578700D+01 -0.800576D+01
      3   0.824861D+01  0.386082D+01  0.275197D+01 -0.275070D+01  0.109141D+02
      4  -0.149518D+01 -0.180869D+02  0.641374D+00  0.247460D+01  0.153961D+02
      5  -0.428486D+01  0.838655D+01 -0.399511D+01  0.264030D+01  0.363571D+01
      6   0.190251D+01  0.418256D+01 -0.100296D+01  0.614564D+00 -0.503785D+01
                56            57            58            59            60 
      1   0.230176D+00  0.323812D+01 -0.170312D+01 -0.132002D+02  0.120466D+01
      2   0.127865D+02 -0.471566D+01  0.936241D+01  0.795900D+01 -0.935045D-01
      3  -0.130167D+02  0.147754D+01 -0.765929D+01  0.524124D+01 -0.111115D+01
      4  -0.210135D+02 -0.456424D+01 -0.190410D+02  0.939577D+01  0.537500D+01
      5  -0.308372D+01 -0.817638D+00 -0.503116D+01  0.601131D+01  0.237811D+01
      6  -0.171072D+01 -0.743999D+01  0.452437D+00  0.369609D+01 -0.844422D+00
                61            62            63            64            65 
      1   0.286052D+01  0.381945D+01  0.279410D+01  0.667033D+01  0.999264D+01
      2  -0.253242D+01 -0.872679D+01  0.478690D+01  0.569213D+01 -0.632936D+01
      3  -0.328099D+00  0.490733D+01 -0.758100D+01 -0.123625D+02 -0.366328D+01
      4  -0.214273D+01  0.659798D+01 -0.358140D+01  0.632760D+00 -0.457556D+01
      5   0.100014D+01 -0.755967D+00 -0.159092D+01 -0.489758D+01  0.695452D+01
      6  -0.603211D+01  0.271754D+01  0.103297D+02  0.116093D+02  0.141997D+02
                66            67            68            69            70 
      1  -0.320904D+01  0.146666D+02 -0.945326D+01 -0.179742D+01 -0.944574D+00
      2   0.141683D+02 -0.351947D+01  0.354007D+01 -0.647073D+01  0.114846D+02
      3  -0.109593D+02 -0.111471D+02  0.591318D+01  0.826814D+01 -0.105400D+02
      4   0.649025D+01 -0.275688D+01 -0.349013D+01  0.342461D+01  0.106062D+00
      5  -0.162237D+02  0.220462D+01  0.864854D+01 -0.914184D+01 -0.139145D+02
      6  -0.157309D+01  0.132277D+02 -0.122997D+02  0.222783D+00  0.191519D+01
                71            72            73            74            75 
      1  -0.509016D+01 -0.606596D+01  0.224326D+02  0.221637D+01  0.108562D+02
      2   0.620386D+00 -0.302351D+01 -0.171888D+02 -0.170480D+01 -0.115960D+02
      3   0.446978D+01  0.908947D+01 -0.524378D+01 -0.511570D+00  0.739802D+00
      4   0.500657D+01  0.290371D+01  0.800707D+01  0.886129D+01  0.520033D+01
      5  -0.273028D+01 -0.466953D+01  0.197077D+02  0.295195D+01  0.176220D+02
      6  -0.278119D+01  0.104548D+01  0.229503D+01  0.144909D+01  0.324965D+01
                76            77            78            79            80 
      1  -0.426001D+01  0.121605D+01 -0.247317D+01  0.138118D+02 -0.409416D+00
      2   0.398978D+01 -0.789686D+00  0.322169D+01 -0.146766D+02 -0.173817D+00
      3   0.270228D+00 -0.426363D+00 -0.748519D+00  0.864831D+00  0.583233D+00
      4   0.551952D+01  0.693188D+00  0.237932D+01  0.640608D+01  0.377903D+01
      5  -0.293230D+01  0.353068D+01 -0.226104D+01  0.217258D+02  0.473895D+01
      6   0.189280D+01 -0.100878D+00  0.355976D+01  0.361615D+01  0.476935D+01
                81            82            83            84            85 
      1   0.720119D+01 -0.476778D+00 -0.270604D+01 -0.381525D+00 -0.338911D+01
      2  -0.157794D+02  0.649505D+01  0.844440D+01  0.888396D+00  0.918395D+01
      3   0.857824D+01 -0.601827D+01 -0.573836D+01 -0.506870D+00 -0.579484D+01
      4   0.770222D+01  0.645993D+01  0.128506D+02  0.626279D+00  0.111264D+02
      5   0.253137D+02  0.143053D+01  0.214724D+01  0.179576D+01  0.196274D+01
      6   0.501723D+01  0.765464D+00  0.243389D+01  0.709219D+00  0.306808D+01
                86            87            88            89            90 
      1  -0.378227D+02 -0.331573D+01  0.218866D+00  0.263900D+01 -0.519821D+01
      2   0.700764D+02  0.291083D+01 -0.731795D+00 -0.755291D+01  0.439424D+01
      3  -0.322537D+02  0.404897D+00  0.512929D+00  0.491392D+01  0.803966D+00
      4   0.212405D+02  0.189213D+01 -0.162666D+01 -0.219826D+01  0.134581D+01
      5   0.281277D+01  0.187905D+01  0.884764D+00  0.177384D+01 -0.176232D+00
      6   0.135608D+02  0.891849D+01  0.255170D+00  0.763915D+01  0.123147D+01
                91            92            93            94            95 
      1  -0.977493D+00  0.941575D+00  0.354617D+01 -0.154222D+01 -0.525659D+01
      2  -0.348407D+01 -0.214953D+00  0.136532D+00  0.780568D+00  0.484683D+01
      3   0.446156D+01 -0.726622D+00 -0.368271D+01  0.761653D+00  0.409763D+00
      4  -0.199611D+01  0.277518D+01  0.290754D+01  0.507112D+00  0.218975D-01
      5  -0.194105D+01  0.796160D+00  0.585014D+01 -0.296395D+00 -0.393412D-01
      6   0.227662D+01 -0.229030D+01 -0.464387D+01 -0.893218D+00  0.330216D+01
                96            97            98            99           100 
      1  -0.143980D+01  0.418746D+01 -0.793653D+01 -0.244987D+02  0.598052D+02
      2   0.344217D+01  0.102314D+01  0.317398D+01 -0.127429D+02 -0.276354D+02
      3  -0.200237D+01 -0.521060D+01  0.476255D+01  0.372416D+02 -0.321698D+02
      4  -0.100762D+00  0.355407D+01  0.217746D+00 -0.177531D+00 -0.311799D+02
      5  -0.507822D+00  0.520406D+01  0.607591D+00  0.204661D+01  0.172732D+02
      6   0.456165D+01 -0.265139D+01  0.118451D+02  0.280417D+02 -0.101087D+02
               101           102           103           104           105 
      1  -0.102714D+02  0.146621D+02 -0.434798D+00  0.473998D+01  0.874058D+00
      2   0.100744D+01 -0.735568D+01 -0.380058D+01  0.210754D+01 -0.212628D+00
      3   0.926398D+01 -0.730647D+01  0.423538D+01 -0.684752D+01 -0.661430D+00
      4   0.174060D+02 -0.968499D+01  0.121681D+02 -0.938224D+01 -0.439653D+00
      5  -0.574007D+01  0.112319D+02  0.304362D+01 -0.128687D+01 -0.121546D+00
      6   0.406173D+01 -0.577279D+01 -0.578443D+00  0.166216D+01  0.151548D+01
               106           107           108           109           110 
      1   0.307614D+02 -0.779763D+01  0.782472D+01  0.269743D+01 -0.970517D+01
      2  -0.168547D+02  0.415473D+01 -0.639436D+01  0.252522D+01  0.678785D+01
      3  -0.139067D+02  0.364289D+01 -0.143036D+01 -0.522265D+01  0.291732D+01
      4  -0.139952D+02  0.319813D+01 -0.305188D+01 -0.499342D+01  0.455679D+01
      5   0.881837D+01  0.175186D+00  0.950219D+01  0.175353D+01 -0.261955D+01
      6  -0.361495D+01  0.108057D+01 -0.376639D+01  0.682083D-03  0.596942D+01
               111           112           113           114           115 
      1  -0.243589D+01 -0.371936D+01 -0.244381D+02 -0.986532D+01  0.143074D+01
      2   0.241062D+01 -0.157006D+01  0.410056D+02  0.121494D+02 -0.277661D+01
      3   0.252681D-01  0.528942D+01 -0.165675D+02 -0.228409D+01  0.134586D+01
      4  -0.247782D+01  0.126944D+02 -0.300368D+02 -0.110635D+02  0.173633D+00
      5  -0.101788D+01  0.376223D+01 -0.132224D+02 -0.828032D+01 -0.191106D+00
      6   0.343701D+01 -0.370003D+01  0.213073D+02  0.129086D+02  0.838509D+00
               116           117           118           119           120 
      1  -0.158263D+02 -0.901900D+01 -0.256996D+00 -0.117080D+01 -0.143703D+01
      2   0.205041D+02  0.681059D+01  0.240774D+00  0.430244D+00  0.118107D+00
      3  -0.467773D+01  0.220842D+01  0.162219D-01  0.740559D+00  0.131892D+01
      4  -0.118685D+02 -0.359254D+01  0.240274D+01  0.655828D+01  0.307626D+01
      5  -0.507035D+01 -0.442941D+01  0.877892D+00  0.407037D+01  0.494669D+01
      6   0.109775D+02  0.932472D+01  0.457566D+01  0.173684D+01  0.258505D+01
               121           122           123           124           125 
      1  -0.258239D+01 -0.171201D+02 -0.122865D+02 -0.644356D+00 -0.974270D+01
      2   0.146866D+01  0.142406D+02  0.486345D+01  0.467375D+00  0.263690D+01
      3   0.111372D+01  0.287943D+01  0.742306D+01  0.176981D+00  0.710580D+01
      4   0.626693D+01  0.470290D+01  0.258874D+01  0.103570D+01  0.214601D+01
      5   0.355413D+01  0.129963D+01  0.164890D+01  0.326605D+01  0.128444D+01
      6   0.196816D+01  0.212508D+02  0.180767D+02  0.236052D+01  0.154854D+02
               126           127           128           129           130 
      1  -0.139806D+02  0.110179D+02  0.414759D+01  0.559323D+01  0.562779D+01
      2  -0.103969D+01  0.104943D+02 -0.650381D+01 -0.117507D+02 -0.119897D+02
      3   0.150203D+02 -0.215123D+02  0.235622D+01  0.615748D+01  0.636195D+01
      4   0.304376D+01  0.730242D+01  0.676909D+00  0.372381D+01 -0.103610D+01
      5   0.121104D+01  0.482791D+01 -0.480295D+01 -0.197116D+02 -0.660913D+01
      6   0.153530D+02 -0.365768D+00  0.380061D+01  0.155153D+01  0.530372D+01
               131           132           133           134           135 
      1   0.821620D+01  0.267619D+01  0.621314D+01  0.560290D+01 -0.127427D+02
      2  -0.222546D+02  0.128078D+02 -0.112080D+02  0.505306D+01  0.114583D+02
      3   0.140384D+02 -0.154840D+02  0.499488D+01 -0.106560D+02  0.128430D+01
      4  -0.169765D+02  0.158604D+01  0.529420D+01 -0.178663D+00  0.179358D+01
      5   0.407760D+01  0.950857D+01 -0.192881D+02  0.597165D+01  0.930031D+01
      6   0.197103D+02  0.140032D+01  0.103568D+01  0.525191D+01 -0.125397D+02
               136           137           138           139           140 
      1   0.297822D+01  0.159387D+02  0.227455D+02  0.215499D+02  0.112307D+01
      2   0.101329D+01 -0.117386D+02 -0.112556D+02 -0.192427D+02 -0.138889D+02
      3  -0.399150D+01 -0.420010D+01 -0.114899D+02 -0.230722D+01  0.127658D+02
      4   0.153731D+02 -0.457424D+01  0.209462D+01 -0.106197D+02 -0.335131D+02
      5   0.244678D+02 -0.987314D+00 -0.128731D+02 -0.255896D+01 -0.365028D+01
      6   0.415999D+01 -0.541975D+00 -0.140935D+01 -0.171051D+01 -0.527098D+01
               141           142           143           144           145 
      1  -0.176260D+01  0.289879D+02 -0.190340D+01 -0.171167D+02  0.145527D+02
      2  -0.179255D+01 -0.139285D+02 -0.219182D+01  0.156118D+02  0.355563D+01
      3   0.355515D+01 -0.150594D+02  0.409522D+01  0.150484D+01 -0.181083D+02
      4  -0.329786D+01  0.339718D+01 -0.336836D+01  0.117560D+02 -0.289620D+02
      5   0.146019D+02 -0.187023D+02  0.134548D+02 -0.145356D+02 -0.373725D+01
      6   0.196427D+01 -0.149294D+01  0.259774D+01 -0.100365D+01  0.184482D+01
               146           147           148           149           150 
      1  -0.414074D+01 -0.175111D+01 -0.144275D+01 -0.401518D+01 -0.614287D+00
      2  -0.112933D+02  0.104578D+00 -0.109698D+02  0.211694D+02  0.283791D+01
      3   0.154341D+02  0.164653D+01  0.124126D+02 -0.171542D+02 -0.222362D+01
      4   0.264042D+02  0.359856D+01  0.222304D+02 -0.251640D+02 -0.330668D+01
      5   0.216341D+01  0.545391D+01  0.179590D+01 -0.256821D+01 -0.260056D+01
      6  -0.160657D+01 -0.326414D+01 -0.136213D+01  0.247314D+01  0.610764D+01
               151           152           153           154           155 
      1  -0.148474D+01 -0.766919D+00 -0.108154D+01  0.152465D+01  0.103364D+01
      2   0.809696D-01  0.345990D+01  0.208729D+01 -0.116028D+02  0.563544D-01
      3   0.140377D+01 -0.269298D+01 -0.100575D+01  0.100782D+02 -0.108999D+01
      4   0.356953D+01 -0.367459D+01 -0.500367D+01 -0.531625D+01  0.378888D+01
      5   0.525932D+01 -0.392463D+01 -0.205390D+01  0.194310D+02 -0.452510D+01
      6  -0.362744D+01  0.720557D+01  0.105987D+01 -0.890352D+01  0.462207D+01
               156           157           158           159           160 
      1  -0.318335D+01 -0.211687D+01 -0.142321D+01  0.170842D+01 -0.132673D+01
      2  -0.125356D+02 -0.571289D+00 -0.903515D+00 -0.173887D+01 -0.108322D+02
      3   0.157190D+02  0.268816D+01  0.232673D+01  0.304515D-01  0.121589D+02
      4  -0.467546D+01  0.408413D+01 -0.180145D+01  0.280756D+01 -0.356196D+01
      5   0.186102D+02 -0.101507D+01  0.340353D+01 -0.804104D+00  0.163525D+02
      6  -0.885181D+01  0.235695D+01 -0.223586D+01  0.674038D+01 -0.604259D+01
               161           162           163           164           165 
      1   0.411071D+01 -0.111245D+02 -0.280429D+01 -0.744546D+01  0.826656D+01
      2   0.576554D+00 -0.155162D+02 -0.143782D+01  0.449259D+01  0.138114D+01
      3  -0.468726D+01  0.266407D+02  0.424211D+01  0.295287D+01 -0.964770D+01
      4   0.264485D+01 -0.395777D+01  0.826678D+01  0.795483D+01 -0.653108D+01
      5  -0.290400D+01  0.193586D+02 -0.111290D+02 -0.722918D+01  0.119710D+02
      6   0.767094D+01 -0.121332D+02 -0.928926D+01 -0.131588D+02  0.121484D+02
               166           167           168           169           170 
      1  -0.466188D+01 -0.985679D+01  0.888246D+01  0.370068D+01  0.735066D+01
      2   0.267970D+01  0.935405D+01 -0.133957D+01  0.608065D+00 -0.458160D+00
      3   0.198219D+01  0.502744D+00 -0.754289D+01 -0.430874D+01 -0.689250D+01
      4   0.720693D+01  0.589811D+01 -0.453327D+01 -0.428230D+01 -0.385173D+01
      5  -0.543902D+01 -0.658291D+01  0.513230D+01  0.847854D+01  0.449380D+01
      6  -0.825548D+01 -0.136052D+02  0.141502D+02  0.588419D+01  0.116749D+02
               171           172           173           174           175 
      1  -0.104961D+02 -0.458257D+01  0.108672D+01 -0.991247D+01 -0.737400D+00
      2  -0.307495D+01 -0.436718D+01 -0.897044D+00 -0.390810D+01  0.101381D+01
      3   0.135710D+02  0.894974D+01 -0.189676D+00  0.138206D+02 -0.276414D+00
      4   0.429843D+01 -0.864642D+01  0.448082D+00 -0.218754D+01  0.123055D+01
      5  -0.739087D+01  0.132847D+02  0.161107D+01  0.769784D+01  0.199787D+01
      6  -0.139158D+02 -0.110092D+00  0.426569D+01 -0.511969D+01  0.202972D+01
               176           177           178           179           180 
      1  -0.231220D+01 -0.686701D+00 -0.546954D+01 -0.377371D+00 -0.632569D+01
      2   0.271291D+01 -0.269375D+01 -0.240548D+01 -0.127147D+01 -0.596321D+01
      3  -0.400707D+00  0.338046D+01  0.787502D+01  0.164884D+01  0.122889D+02
      4   0.101427D+01  0.887794D-01 -0.286128D+01  0.511405D+00 -0.263728D+01
      5   0.160369D+01 -0.170197D+01  0.915289D+01 -0.138765D+00  0.488976D+01
      6  -0.151729D+01  0.195221D+01 -0.194790D+01  0.232887D+01 -0.180119D+01
               181           182           183           184           185 
      1  -0.357658D+00  0.127998D+01 -0.373447D+00 -0.384044D+00 -0.200067D+02
      2   0.149987D+01  0.173384D+01  0.149616D+01  0.499071D+01  0.364682D+02
      3  -0.114222D+01 -0.301382D+01 -0.112271D+01 -0.460666D+01 -0.164615D+02
      4   0.415800D+01  0.773389D+01 -0.213051D+01  0.103724D+02  0.204787D+02
      5  -0.247475D+01 -0.306630D+01  0.484623D+01 -0.440563D+01 -0.559440D+01
      6  -0.293232D+01 -0.313217D+01  0.115791D+01 -0.573527D+01 -0.288188D+02
               186           187           188           189           190 
      1   0.778078D+01  0.347067D+00  0.176993D+01 -0.198545D+01  0.846140D+01
      2  -0.487819D+01  0.170807D+01  0.141558D+01  0.125040D+01 -0.163458D+02
      3  -0.290259D+01 -0.205513D+01 -0.318551D+01  0.735053D+00  0.788439D+01
      4  -0.493842D+01  0.164439D+00  0.567937D+00  0.194301D+01  0.233148D+01
      5   0.412774D+01  0.301315D+01  0.123556D+01 -0.163154D+01 -0.221294D+02
      6   0.134875D+02  0.102022D+01  0.599503D+01 -0.241206D+01 -0.157528D+00
               191           192           193           194           195 
      1  -0.216837D+01 -0.765111D+00 -0.328775D+01 -0.604583D+00 -0.176891D+01
      2   0.366271D+01  0.158118D+02  0.669581D+01 -0.915917D+00 -0.841163D+01
      3  -0.149434D+01 -0.150467D+02 -0.340806D+01  0.152050D+01  0.101805D+02
      4   0.374285D+01 -0.303975D+01  0.269258D+01 -0.905073D+00 -0.269212D+01
      5   0.271734D+01  0.235861D+02  0.837671D+01 -0.543059D+01 -0.949091D+01
      6  -0.533348D+01  0.193012D+01 -0.419094D+01  0.219534D+01  0.464257D+01
               196           197           198           199           200 
      1  -0.147708D+01 -0.415239D+00 -0.608951D+01  0.841867D+01 -0.430599D+01
      2   0.131774D+02 -0.363675D+01 -0.212272D+02 -0.754522D+01  0.317337D+01
      3  -0.117004D+02  0.405199D+01  0.273167D+02 -0.873447D+00  0.113263D+01
      4  -0.224428D+01 -0.274534D+01  0.155500D+01 -0.337341D+01  0.264840D+01
      5   0.195825D+02 -0.315406D+01 -0.249667D+02  0.839200D+01 -0.295426D+01
      6   0.562200D+00  0.526658D+01 -0.712648D+00 -0.557216D+00  0.533490D+00
               201           202           203           204           205 
      1   0.584817D+01 -0.991337D+01  0.771752D+00 -0.179202D+01  0.128041D+02
      2  -0.602065D+01  0.673698D+01 -0.912612D-01  0.369914D+01 -0.108746D+02
      3   0.172481D+00  0.317639D+01 -0.680491D+00 -0.190712D+01 -0.192955D+01
      4  -0.148978D+01  0.398890D+01 -0.198322D+01  0.565674D+01  0.205517D+00
      5   0.131917D+02 -0.519198D+01  0.544912D+01 -0.999081D+01  0.200871D+02
      6   0.533346D+00  0.651105D+00 -0.141894D+01  0.218789D+01  0.217825D+01
               206           207           208           209           210 
      1  -0.404199D+00  0.626139D+01  0.504575D+02 -0.856185D+01 -0.171477D+02
      2   0.338105D+01 -0.166186D+02 -0.274643D+02  0.534572D+01  0.981869D+01
      3  -0.297685D+01  0.103573D+02 -0.229932D+02  0.321614D+01  0.732898D+01
      4   0.794567D+01 -0.511905D+01 -0.269473D+01  0.826273D+01  0.110547D+01
      5  -0.698895D+01  0.325081D+02 -0.185224D+02  0.288010D+01  0.149630D+02
      6   0.306881D+01  0.300130D+01 -0.183855D+01 -0.111198D+00  0.164396D+01
               211           212           213           214           215 
      1  -0.183774D+02  0.665494D+01  0.444251D+01 -0.318521D+02  0.348232D+01
      2   0.108188D+02 -0.179142D+01 -0.258625D+01  0.182876D+02 -0.231860D+01
      3   0.755852D+01 -0.486351D+01 -0.185625D+01  0.135644D+02 -0.116373D+01
      4   0.988587D+01 -0.274215D+01 -0.395541D+01 -0.593970D+00 -0.664827D+01
      5   0.576464D+01 -0.381795D+01 -0.721953D+01  0.199907D+02 -0.464941D+01
      6  -0.563567D+00  0.142113D+01  0.116766D+01  0.152844D+01  0.123116D+01
               216           217           218           219           220 
      1   0.135158D+02  0.604634D+01  0.532282D+01 -0.127830D+01  0.101780D+02
      2  -0.113111D+02  0.778149D-01 -0.404636D+00  0.980362D+00  0.346339D+01
      3  -0.220469D+01 -0.612415D+01 -0.491819D+01  0.297942D+00 -0.136414D+02
      4  -0.272794D+01  0.775134D+01  0.114375D+02  0.108406D+01  0.254312D+02
      5  -0.161846D+02 -0.734716D+00  0.169075D+01  0.300440D+01  0.388068D+01
      6  -0.126201D+01  0.774619D+00  0.897566D+00  0.299817D+00  0.315783D+01
               221           222           223           224           225 
      1  -0.467658D+01  0.235182D+00 -0.292653D+01 -0.289363D+00  0.101908D+01
      2   0.256098D+02  0.737006D+00  0.133707D+01  0.862570D+00  0.232182D+00
      3  -0.209333D+02 -0.972187D+00  0.158946D+01 -0.573207D+00 -0.125126D+01
      4   0.464499D+02  0.413043D+01  0.111217D+01  0.284422D+01  0.401745D+01
      5   0.429497D+01  0.662459D+01  0.578475D+01  0.393575D+01  0.278938D+01
      6   0.738209D+01  0.674380D+01  0.239787D+01  0.572816D+01  0.139072D+01
               226           227           228           229           230 
      1   0.153310D+02  0.107714D+02 -0.483982D+01  0.748302D+01  0.240444D+01
      2  -0.559790D+01 -0.271967D+01  0.121802D+01 -0.932642D-01  0.591230D+01
      3  -0.973315D+01 -0.805172D+01  0.362181D+01 -0.738975D+01 -0.831674D+01
      4   0.183833D+02  0.210020D+02 -0.620803D+01  0.145092D+02  0.249034D+02
      5  -0.638844D+01 -0.315784D+01  0.759774D+01 -0.318572D+01 -0.644670D+01
      6  -0.472418D+01 -0.464499D+01  0.392089D+01 -0.437229D+01 -0.589656D+01
               231           232           233           234 
      1  -0.270040D+01 -0.974205D+01 -0.377165D+01  0.522060D+01
      2  -0.140852D+01  0.378081D+01 -0.201862D+01 -0.342985D+01
      3   0.410892D+01  0.596124D+01  0.579027D+01 -0.179075D+01
      4  -0.798052D+01 -0.113139D+02 -0.201358D+02  0.100557D+02
      5   0.320361D+01  0.945554D+01  0.701021D+01 -0.942823D+01
      6   0.615242D+01  0.538078D+01  0.790099D+01 -0.633183D+01
 End of Minotr F.D. properties file   788 does not exist.
 Leave Link 1002 at Thu Jul 22 20:09:19 2021, MaxMem= 17179869184 cpu:           13625.0 elap:            1138.3
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l601.exe)
 Copying SCF densities to generalized density rwf, IOpCl= 0 IROHF=0.

 **********************************************************************

            Population analysis using the SCF density.

 **********************************************************************

 Orbital symmetries:
       Occupied  (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A)
       Virtual   (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A)
 The electronic state is 1-A.
 Alpha  occ. eigenvalues --  -10.30623 -10.30161 -10.29820 -10.29768 -10.29493
 Alpha  occ. eigenvalues --  -10.29265 -10.29053 -10.28330 -10.27847 -10.27521
 Alpha  occ. eigenvalues --   -0.97951  -0.88091  -0.84615  -0.82837  -0.77324
 Alpha  occ. eigenvalues --   -0.74980  -0.70925  -0.68229  -0.63453  -0.58321
 Alpha  occ. eigenvalues --   -0.56557  -0.56441  -0.53360  -0.51910  -0.51472
 Alpha  occ. eigenvalues --   -0.49213  -0.48012  -0.47525  -0.46331  -0.45485
 Alpha  occ. eigenvalues --   -0.45035  -0.43366  -0.42061  -0.39973  -0.38110
 Alpha  occ. eigenvalues --   -0.37426  -0.35994  -0.31558
 Alpha virt. eigenvalues --    0.08248   0.08406   0.10545   0.10728   0.11071
 Alpha virt. eigenvalues --    0.13091   0.13549   0.13696   0.15162   0.15609
 Alpha virt. eigenvalues --    0.16096   0.17082   0.17924   0.18535   0.19373
 Alpha virt. eigenvalues --    0.19574   0.20549   0.21091   0.21639   0.22522
 Alpha virt. eigenvalues --    0.23099   0.23636   0.24683   0.25214   0.25553
 Alpha virt. eigenvalues --    0.26524   0.27260   0.27532   0.28538   0.28796
 Alpha virt. eigenvalues --    0.30306   0.30586   0.31504   0.32110   0.32472
 Alpha virt. eigenvalues --    0.32999   0.33813   0.34198   0.34843   0.35905
 Alpha virt. eigenvalues --    0.36236   0.36755   0.37151   0.38139   0.38232
 Alpha virt. eigenvalues --    0.38684   0.39555   0.39666   0.40395   0.40821
 Alpha virt. eigenvalues --    0.41337   0.41877   0.41989   0.42716   0.43470
 Alpha virt. eigenvalues --    0.43698   0.43850   0.44318   0.44428   0.45091
 Alpha virt. eigenvalues --    0.45426   0.46056   0.46465   0.47061   0.47222
 Alpha virt. eigenvalues --    0.47602   0.48276   0.48430   0.48869   0.49645
 Alpha virt. eigenvalues --    0.49873   0.50254   0.50978   0.51940   0.52525
 Alpha virt. eigenvalues --    0.52609   0.53264   0.53763   0.53930   0.54704
 Alpha virt. eigenvalues --    0.55291   0.55806   0.56443   0.56699   0.56910
 Alpha virt. eigenvalues --    0.57684   0.57976   0.58689   0.59573   0.59955
 Alpha virt. eigenvalues --    0.60409   0.60759   0.60903   0.62061   0.62719
 Alpha virt. eigenvalues --    0.62990   0.63660   0.64137   0.64694   0.65657
 Alpha virt. eigenvalues --    0.66476   0.66552   0.67081   0.67386   0.67814
 Alpha virt. eigenvalues --    0.68751   0.69623   0.69807   0.70638   0.71162
 Alpha virt. eigenvalues --    0.71439   0.72685   0.73553   0.74230   0.74918
 Alpha virt. eigenvalues --    0.75901   0.76312   0.77493   0.77570   0.78263
 Alpha virt. eigenvalues --    0.78772   0.80262   0.81391   0.81925   0.83923
 Alpha virt. eigenvalues --    0.84507   0.85160   0.87355   0.87465   0.88658
 Alpha virt. eigenvalues --    0.89102   0.90280   0.91504   0.92495   0.93710
 Alpha virt. eigenvalues --    0.96051   0.99842   1.02400   1.02850   1.03363
 Alpha virt. eigenvalues --    1.04935   1.05932   1.06344   1.08543   1.08680
 Alpha virt. eigenvalues --    1.09164   1.09533   1.09997   1.11526   1.12352
 Alpha virt. eigenvalues --    1.13350   1.13771   1.14757   1.15150   1.16343
 Alpha virt. eigenvalues --    1.17904   1.18461   1.20217   1.21565   1.22351
 Alpha virt. eigenvalues --    1.23552   1.24723   1.26518   1.27738   1.28999
 Alpha virt. eigenvalues --    1.30112   1.32333   1.33361   1.34591   1.37318
 Alpha virt. eigenvalues --    1.38400   1.40909   1.41613   1.43595   1.44176
 Alpha virt. eigenvalues --    1.45730   1.48752   1.50328   1.51379   1.52584
 Alpha virt. eigenvalues --    1.54555   1.56058   1.57510   1.59168   1.60757
 Alpha virt. eigenvalues --    1.61115   1.61621   1.65848   1.66488   1.69447
 Alpha virt. eigenvalues --    1.71660   1.72894   1.74269   1.76786   1.78576
 Alpha virt. eigenvalues --    1.79811   1.82284   1.82630   1.84785   1.85689
 Alpha virt. eigenvalues --    1.87299   1.89432   1.91919   1.92770   1.93589
 Alpha virt. eigenvalues --    1.94889   1.96608   1.98076   1.98736   2.00196
 Alpha virt. eigenvalues --    2.01493   2.03316   2.03980   2.05477   2.07413
 Alpha virt. eigenvalues --    2.07701   2.09742   2.10853   2.11014   2.14058
 Alpha virt. eigenvalues --    2.14808   2.15784   2.16748   2.17644   2.19787
 Alpha virt. eigenvalues --    2.21364   2.21971   2.23250   2.25545   2.26011
 Alpha virt. eigenvalues --    2.27291   2.29119   2.30319   2.30428   2.31677
 Alpha virt. eigenvalues --    2.35841   2.36535   2.38896   2.39826   2.40232
 Alpha virt. eigenvalues --    2.41875   2.42585   2.44756   2.46895   2.47520
 Alpha virt. eigenvalues --    2.47779   2.48560   2.50694   2.52963   2.53191
 Alpha virt. eigenvalues --    2.55473   2.59855   2.61019   2.63073   2.63431
 Alpha virt. eigenvalues --    2.66427   2.68698   2.69639   2.71402   2.73125
 Alpha virt. eigenvalues --    2.74173   2.76030   2.77847   2.79212   2.80203
 Alpha virt. eigenvalues --    2.83213   2.84333   2.87682   2.90001   2.94064
 Alpha virt. eigenvalues --    2.98815   3.04729   3.07802   3.08599   3.09451
 Alpha virt. eigenvalues --    3.10633   3.13621   3.16778   3.19293   3.21526
 Alpha virt. eigenvalues --    3.24411   3.25898   3.26642   3.28129   3.28346
 Alpha virt. eigenvalues --    3.31915   3.33841   3.39139   3.43608   3.49707
          Condensed to atoms (all electrons):
               1          2          3          4          5          6
     1  C    5.803900   0.305415  -0.230082  -0.650810   0.000242  -0.159675
     2  C    0.305415   4.758486   0.171596   0.024850  -0.079688   0.005467
     3  C   -0.230082   0.171596   7.615211  -0.107401  -0.119859  -0.143586
     4  C   -0.650810   0.024850  -0.107401   7.820489  -0.684925   0.050622
     5  C    0.000242  -0.079688  -0.119859  -0.684925   7.841253  -1.450411
     6  C   -0.159675   0.005467  -0.143586   0.050622  -1.450411  14.728701
     7  C    0.233292   0.190662  -0.136688   0.007272   0.896069  -1.677499
     8  C   -0.224113  -0.104567  -0.097932   0.092282  -0.615034   0.365669
     9  H   -0.202455  -0.012177   0.284530  -0.110004   0.091360  -0.022875
    10  H   -0.074649   0.182141   0.051316   0.004287  -0.010669   0.089834
    11  H    0.056683   0.316602  -0.062469   0.005892  -0.041987   0.056105
    12  H   -0.005556  -0.007872   0.114788   0.022001   0.052924  -0.011335
    13  H    0.031748   0.001061   0.011718   0.277923  -0.049849   0.027625
    14  H    0.087088   0.005371  -0.297558  -0.295614  -0.136551  -0.775805
    15  C   -0.014287  -0.145037  -0.125116  -0.001458   0.096799  -2.067244
    16  C    0.009667   0.039301  -0.016085  -0.000593  -0.065762  -0.160068
    17  H    0.003856  -0.320705   0.059334  -0.003903   0.008596  -0.540048
    18  H   -0.000467   0.085324   0.037265  -0.004004   0.175759  -0.131887
    19  H   -0.018103  -0.148745  -0.126736   0.013557  -0.115698   0.214816
    20  H    0.017035   0.010983   0.016638  -0.030939  -0.095981   0.085180
    21  H   -0.002323   0.005616   0.008151   0.007121   0.013159   0.210145
    22  H    0.000018  -0.007568  -0.009016   0.000773   0.025209   0.151288
    23  H    0.001176  -0.001580  -0.007399  -0.000447  -0.057991   0.399949
    24  H    0.000338   0.001433   0.002712  -0.000258   0.006217   0.202482
    25  H    0.000031  -0.001157   0.005222  -0.001442   0.017053   0.150426
    26  H    0.359304   0.011602  -0.078404  -0.028025   0.009937  -0.066501
               7          8          9         10         11         12
     1  C    0.233292  -0.224113  -0.202455  -0.074649   0.056683  -0.005556
     2  C    0.190662  -0.104567  -0.012177   0.182141   0.316602  -0.007872
     3  C   -0.136688  -0.097932   0.284530   0.051316  -0.062469   0.114788
     4  C    0.007272   0.092282  -0.110004   0.004287   0.005892   0.022001
     5  C    0.896069  -0.615034   0.091360  -0.010669  -0.041987   0.052924
     6  C   -1.677499   0.365669  -0.022875   0.089834   0.056105  -0.011335
     7  C    7.199956  -0.562725   0.006797   0.062972  -0.106962   0.003068
     8  C   -0.562725   5.603922  -0.004590   0.012107   0.028899  -0.005774
     9  H    0.006797  -0.004590   1.172617   0.089845  -0.117647   0.029085
    10  H    0.062972   0.012107   0.089845   1.089087  -0.168212  -0.000459
    11  H   -0.106962   0.028899  -0.117647  -0.168212   0.882281  -0.001301
    12  H    0.003068  -0.005774   0.029085  -0.000459  -0.001301   0.749738
    13  H    0.000788  -0.004166  -0.011633  -0.000204   0.000614  -0.042095
    14  H    0.063666  -0.120917  -0.000421  -0.002457  -0.002505   0.019502
    15  C    0.127142   0.107656  -0.005821  -0.002813  -0.024268   0.005562
    16  C   -0.129103   0.001569   0.001455   0.001663   0.002145   0.000510
    17  H    0.025069   0.062482   0.001884  -0.032338  -0.056563   0.000013
    18  H    0.073042  -0.093875  -0.000344  -0.003633   0.000833  -0.000014
    19  H   -0.071600   0.245520   0.000709   0.009873   0.000981   0.000148
    20  H   -0.067160   0.030276  -0.006175  -0.002422   0.010554  -0.000324
    21  H    0.016472  -0.008960  -0.002754  -0.000256   0.000680   0.000247
    22  H    0.044471  -0.012162   0.001432  -0.001396  -0.008168   0.000498
    23  H   -0.078145  -0.001476  -0.000020  -0.000074   0.000198   0.000032
    24  H    0.007279  -0.004844   0.000030  -0.000417  -0.001080   0.000003
    25  H    0.028301  -0.008130   0.000053  -0.000121  -0.000285   0.000030
    26  H    0.008638  -0.034272  -0.192556  -0.127533   0.018999   0.007447
              13         14         15         16         17         18
     1  C    0.031748   0.087088  -0.014287   0.009667   0.003856  -0.000467
     2  C    0.001061   0.005371  -0.145037   0.039301  -0.320705   0.085324
     3  C    0.011718  -0.297558  -0.125116  -0.016085   0.059334   0.037265
     4  C    0.277923  -0.295614  -0.001458  -0.000593  -0.003903  -0.004004
     5  C   -0.049849  -0.136551   0.096799  -0.065762   0.008596   0.175759
     6  C    0.027625  -0.775805  -2.067244  -0.160068  -0.540048  -0.131887
     7  C    0.000788   0.063666   0.127142  -0.129103   0.025069   0.073042
     8  C   -0.004166  -0.120917   0.107656   0.001569   0.062482  -0.093875
     9  H   -0.011633  -0.000421  -0.005821   0.001455   0.001884  -0.000344
    10  H   -0.000204  -0.002457  -0.002813   0.001663  -0.032338  -0.003633
    11  H    0.000614  -0.002505  -0.024268   0.002145  -0.056563   0.000833
    12  H   -0.042095   0.019502   0.005562   0.000510   0.000013  -0.000014
    13  H    0.630913  -0.056170  -0.007364  -0.001468  -0.000172   0.000071
    14  H   -0.056170   2.870750   0.220692  -0.163928   0.051452  -0.096596
    15  C   -0.007364   0.220692   6.429448  -0.451673   0.220162  -0.009299
    16  C   -0.001468  -0.163928  -0.451673   5.391345  -0.137581   0.007546
    17  H   -0.000172   0.051452   0.220162  -0.137581   2.413896  -0.130542
    18  H    0.000071  -0.096596  -0.009299   0.007546  -0.130542   2.282227
    19  H   -0.001702   0.083904   0.001493  -0.003389   0.097317  -0.957149
    20  H   -0.001923   0.016485   0.296417   0.019940   0.017141  -0.001874
    21  H   -0.002436   0.017274  -0.050521   0.008286  -0.002556  -0.000166
    22  H   -0.000151   0.002072   0.014223   0.004069   0.023062  -0.001439
    23  H   -0.000101  -0.022157   0.003670   0.235688  -0.024416  -0.000946
    24  H    0.000019   0.002405   0.016447  -0.043973   0.014323   0.002806
    25  H   -0.000069   0.030967   0.028308  -0.086215   0.005077   0.003117
    26  H    0.001339   0.000992   0.000841   0.000779  -0.004722   0.007704
              19         20         21         22         23         24
     1  C   -0.018103   0.017035  -0.002323   0.000018   0.001176   0.000338
     2  C   -0.148745   0.010983   0.005616  -0.007568  -0.001580   0.001433
     3  C   -0.126736   0.016638   0.008151  -0.009016  -0.007399   0.002712
     4  C    0.013557  -0.030939   0.007121   0.000773  -0.000447  -0.000258
     5  C   -0.115698  -0.095981   0.013159   0.025209  -0.057991   0.006217
     6  C    0.214816   0.085180   0.210145   0.151288   0.399949   0.202482
     7  C   -0.071600  -0.067160   0.016472   0.044471  -0.078145   0.007279
     8  C    0.245520   0.030276  -0.008960  -0.012162  -0.001476  -0.004844
     9  H    0.000709  -0.006175  -0.002754   0.001432  -0.000020   0.000030
    10  H    0.009873  -0.002422  -0.000256  -0.001396  -0.000074  -0.000417
    11  H    0.000981   0.010554   0.000680  -0.008168   0.000198  -0.001080
    12  H    0.000148  -0.000324   0.000247   0.000498   0.000032   0.000003
    13  H   -0.001702  -0.001923  -0.002436  -0.000151  -0.000101   0.000019
    14  H    0.083904   0.016485   0.017274   0.002072  -0.022157   0.002405
    15  C    0.001493   0.296417  -0.050521   0.014223   0.003670   0.016447
    16  C   -0.003389   0.019940   0.008286   0.004069   0.235688  -0.043973
    17  H    0.097317   0.017141  -0.002556   0.023062  -0.024416   0.014323
    18  H   -0.957149  -0.001874  -0.000166  -0.001439  -0.000946   0.002806
    19  H    2.245974   0.004596  -0.000783  -0.000148   0.002697   0.001352
    20  H    0.004596   1.008672  -0.059794  -0.131638  -0.003804   0.003394
    21  H   -0.000783  -0.059794   0.720423  -0.036766  -0.003145  -0.006034
    22  H   -0.000148  -0.131638  -0.036766   0.738544   0.001679  -0.000916
    23  H    0.002697  -0.003804  -0.003145   0.001679   0.879143  -0.055236
    24  H    0.001352   0.003394  -0.006034  -0.000916  -0.055236   0.654786
    25  H    0.001519   0.005240   0.007889  -0.008490  -0.080316  -0.022035
    26  H   -0.031549  -0.000902   0.000710   0.001439   0.000333  -0.000036
              25         26
     1  C    0.000031   0.359304
     2  C   -0.001157   0.011602
     3  C    0.005222  -0.078404
     4  C   -0.001442  -0.028025
     5  C    0.017053   0.009937
     6  C    0.150426  -0.066501
     7  C    0.028301   0.008638
     8  C   -0.008130  -0.034272
     9  H    0.000053  -0.192556
    10  H   -0.000121  -0.127533
    11  H   -0.000285   0.018999
    12  H    0.000030   0.007447
    13  H   -0.000069   0.001339
    14  H    0.030967   0.000992
    15  C    0.028308   0.000841
    16  C   -0.086215   0.000779
    17  H    0.005077  -0.004722
    18  H    0.003117   0.007704
    19  H    0.001519  -0.031549
    20  H    0.005240  -0.000902
    21  H    0.007889   0.000710
    22  H   -0.008490   0.001439
    23  H   -0.080316   0.000333
    24  H   -0.022035  -0.000036
    25  H    0.711246  -0.000045
    26  H   -0.000045   0.961193
 Mulliken charges:
               1
     1  C    0.672726
     2  C    0.713187
     3  C   -0.820147
     4  C   -0.407245
     5  C    0.289828
     6  C   -3.531375
     7  C   -0.165070
     8  C    1.353152
     9  H    0.009676
    10  H   -0.165472
    11  H    0.209982
    12  H    0.069135
    13  H    0.195685
    14  H   -0.501939
    15  C    1.336039
    16  C    1.535876
    17  H   -0.750119
    18  H   -0.243459
    19  H   -0.448852
    20  H   -0.139617
    21  H    0.160321
    22  H    0.209081
    23  H   -0.187311
    24  H    0.218801
    25  H    0.213827
    26  H    0.173290
 Sum of Mulliken charges =  -0.00000
 Mulliken charges with hydrogens summed into heavy atoms:
               1
     1  C    0.855692
     2  C    0.757697
     3  C   -0.820147
     4  C   -0.142425
     5  C   -0.212112
     6  C   -3.531375
     7  C   -0.915189
     8  C    0.660841
    15  C    1.565824
    16  C    1.781193
 Electronic spatial extent (au):  <R**2>=           1337.1374
 Charge=              0.0000 electrons
 Dipole moment (field-independent basis, Debye):
    X=             -0.4277    Y=              0.5666    Z=              0.1200  Tot=              0.7200
 Quadrupole moment (field-independent basis, Debye-Ang):
   XX=            -63.9103   YY=            -63.2872   ZZ=            -64.2756
   XY=              0.9899   XZ=              1.2193   YZ=              0.5063
 Traceless Quadrupole moment (field-independent basis, Debye-Ang):
   XX=             -0.0859   YY=              0.5371   ZZ=             -0.4512
   XY=              0.9899   XZ=              1.2193   YZ=              0.5063
 Octapole moment (field-independent basis, Debye-Ang**2):
  XXX=              0.1597  YYY=             -0.3432  ZZZ=              0.8347  XYY=              0.2164
  XXY=              2.8507  XXZ=              4.4250  XZZ=             -2.9037  YZZ=              1.9965
  YYZ=             -2.8960  XYZ=             -0.9657
 Hexadecapole moment (field-independent basis, Debye-Ang**3):
 XXXX=           -920.0819 YYYY=           -537.0076 ZZZZ=           -414.8393 XXXY=             -4.2574
 XXXZ=             11.9013 YYYX=              4.4149 YYYZ=              6.0058 ZZZX=              7.5607
 ZZZY=              2.0776 XXYY=           -242.3654 XXZZ=           -221.3063 YYZZ=           -163.3317
 XXYZ=             -4.0362 YYXZ=             -4.0642 ZZXY=              1.9684
 N-N= 5.709841444774D+02 E-N=-2.042672028418D+03  KE= 3.853399748433D+02
 No NMR shielding tensors so no spin-rotation constants.
 Leave Link  601 at Thu Jul 22 20:09:20 2021, MaxMem= 17179869184 cpu:               3.0 elap:               0.4
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l716.exe)
 Electric field and nuclear coordinate derivatives read from checkpoint file.
 Rotating derivatives to standard orientation.
 Dipole        =-1.68839324D-01 2.26576814D-01 4.73897661D-02
 Polarizability= 1.22600674D+02-6.80291573D+00 1.14486480D+02
                 7.23190235D-01 1.13236103D+00 9.98872265D+01
 Translational dAlpha, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1      0.0000    0.0000        0.0000    0.0000        0.0000    0.0000
 2      0.0000    0.0000       -0.0000    0.0000        0.0000    0.0000
 3      0.0000    0.0000        0.0000    0.0000       -0.0000    0.0000
 4      0.0000    0.0000       -0.0000    0.0000       -0.0000    0.0000
 5      0.0000    0.0000        0.0000    0.0000        0.0000    0.0000
 6      0.0000    0.0000       -0.0000    0.0000       -0.0000    0.0000
 Translational dG, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1      0.0000    0.0000       -0.1052   -0.1068       -3.9357   -3.9341
 2      0.1052    0.1068       -0.5349   -0.5358       -3.9468   -3.9482
 3      3.9357    3.9341       11.5948   11.5927        0.5345    0.5358
 4      0.5349    0.5358        0.0000    0.0000        3.9351    3.9341
 5     -7.6480   -7.6444       -3.9351   -3.9341       -0.1084   -0.1068
 6     -0.5345   -0.5358        0.1084    0.1068       -0.0000    0.0000
 Translational dA, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1     -0.0000    0.0000        0.3203    0.3203      -11.8022  -11.8022
 2      1.6074    1.6074        0.0000    0.0000      -11.8022  -11.8022
 3      1.6074    1.6074        0.3203    0.3203       -0.0000    0.0000
 4      0.3203    0.3203       -1.6074   -1.6074      -11.8447  -11.8447
 5     11.8022   11.8022       34.7780   34.7780        1.6074    1.6074
 6    -22.9333  -22.9333      -11.8022  -11.8022       -0.3203   -0.3203
 Rotational dAlpha, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1      0.2069    0.0000       -0.5397    0.4271       14.9834   15.7362
 2     -0.1538   -0.4271        1.4099    2.1432       14.8369   15.7929
 3    -16.0966  -15.7362      -45.6977  -46.3707       -1.8187   -2.1432
 4     -1.8891   -2.1432       -0.2319    0.0000      -16.3973  -15.7362
 5     30.1188   30.5778       16.2348   15.7362        0.4371    0.4271
 6      2.2902    2.1432       -0.6565   -0.4271        0.0680    0.0000
 Rotational dG, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1     -0.0230    0.0000       14.0680   13.3508       -3.5610   -3.4843
 2    -12.3476  -13.3508      -19.1277  -17.1331        1.5711    3.5521
 3      4.9340    3.4843      -22.1222  -20.4032       16.3584   17.1331
 4     17.9979   17.1331       -1.7744    0.0000        3.0791    3.4843
 5     16.4452   16.8511       -3.1657   -3.4843       13.1586   13.3508
 6    -17.8933  -17.1331      -12.2735  -13.3508        0.3706    0.0000
 Rotational dA, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1     51.4553   51.9640       74.4589   73.6207        9.7400    9.7437
 2     80.1909   80.0218       70.5087   70.6017        9.8255    9.7437
 3     80.3194   80.0218       72.9658   73.6207       12.1021   12.1132
 4      3.7368    3.0190      -29.8027  -28.0578        3.1404    5.3640
 5      3.9253    2.3695      -31.5528  -30.1894       27.0580   28.0578
 6     24.8897   24.8254       -2.6816   -2.3695       -4.2453   -3.0190
 Full mass-weighted force constant matrix:
 Low frequencies ---   -9.2943   -3.9471   -0.0006   -0.0005   -0.0004    4.7830
 Low frequencies ---  106.9149  166.5864  191.0365
 Diagonal vibrational polarizability:
        1.9906344       1.4717352       2.5217771
 Harmonic frequencies (cm**-1), IR intensities (KM/Mole), Raman scattering
 activities (A**4/AMU), depolarization ratios for plane and unpolarized
 incident light, reduced masses (AMU), force constants (mDyne/A),
 Raman invariants Alpha2 = alpha**2, Beta2 = beta(alpha)**2 (A**4/AMU)
 ROA invariants AlphaG = alphaG', Gamma2 = beta(G')**2, Delta2 = beta(A)**2, (10**4 A**5/AMU)
 Far-From-Resonance Raman intensities (K), ROA intensites (10**4 K), CID=(ROA/Raman)*10**4
    Raman1;ROA1;CID1 =ICPu/SCPu(180), Raman2;ROA2;CID2 =ICPd/SCPd(90)
    Raman3;ROA3;CID3 =DCPI(180) RC180 = degree of circularity
 and normal coordinates:
 Incident light (cm**-1):   20491.80
                      1                      2                      3
                      A                      A                      A
 Frequencies --    106.9137               166.5857               191.0343
 Red. masses --      2.6288                 1.8473                 1.3437
 Frc consts  --      0.0177                 0.0302                 0.0289
 IR Inten    --      0.0287                 0.1411                 0.0704
 RamAct Fr= 1--      3.4383                 1.1373                 0.6257
  Dep-P Fr= 1--      0.7351                 0.6453                 0.7175
  Dep-U Fr= 1--      0.8474                 0.7844                 0.8355
 Alpha2 Fr= 1--      0.0009                 0.0021                 0.0004
 Beta2  Fr= 1--      0.4856                 0.1487                 0.0871
 AlphaG Fr= 1--      0.0001                -0.0057                 0.0012
 Gamma2 Fr= 1--      0.7942                -0.2445                -0.1387
 Delta2 Fr= 1--     -0.2245                -0.0719                -0.0016
 Raman1 Fr= 1--      13.753                  4.549                  2.503
 ROA1   Fr= 1--      69.062                -25.771                -13.368
 CID1   Fr= 1--       5.022                 -5.665                 -5.341
 Raman2 Fr= 1--       5.827                  1.784                  1.046
 ROA2   Fr= 1--      20.857                 -5.292                 -3.316
 CID2   Fr= 1--       3.579                 -2.966                 -3.171
 Raman3 Fr= 1--      11.654                  3.568                  2.091
 ROA3   Fr= 1--      69.062                -25.771                -13.368
 CID3   Fr= 1--       5.926                 -7.222                 -6.393
 RC180  Fr= 1--       0.695                  0.569                  0.671
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.04   0.08  -0.17    -0.03  -0.06   0.12     0.01   0.02  -0.03
     2   6     0.03  -0.02   0.02    -0.02   0.06  -0.05     0.01   0.01  -0.01
     3   6    -0.01   0.03  -0.01    -0.03  -0.01  -0.00     0.01   0.00   0.02
     4   6    -0.12  -0.07   0.24    -0.10  -0.06   0.02     0.05   0.04  -0.01
     5   6     0.01   0.05  -0.05    -0.00   0.05  -0.05    -0.01  -0.03   0.03
     6   6     0.02  -0.02  -0.02     0.03   0.02  -0.01    -0.02  -0.01   0.01
     7   6     0.00  -0.00   0.05    -0.02   0.03  -0.03     0.01  -0.01   0.00
     8   6    -0.04   0.07   0.02    -0.01   0.05  -0.02     0.01  -0.04   0.00
     9   1     0.22   0.19  -0.29    -0.21  -0.17   0.23     0.04   0.06  -0.05
    10   1    -0.02   0.01   0.11     0.04   0.03  -0.20    -0.00   0.01  -0.01
    11   1     0.12  -0.14   0.02    -0.06   0.23  -0.04     0.02   0.01  -0.01
    12   1    -0.17  -0.09   0.33    -0.14  -0.15   0.10     0.07   0.09  -0.05
    13   1    -0.18  -0.12   0.36    -0.12  -0.02  -0.05     0.08   0.02   0.01
    14   1     0.01   0.07  -0.08    -0.01   0.06  -0.06     0.00  -0.05   0.05
    15   6     0.06  -0.10  -0.06     0.14   0.00  -0.04    -0.03  -0.08  -0.02
    16   6     0.02  -0.01  -0.01     0.03  -0.06   0.04    -0.04   0.09   0.01
    17   1    -0.00  -0.02   0.11    -0.03   0.01  -0.02     0.02  -0.00  -0.02
    18   1    -0.07   0.07   0.05    -0.00   0.05  -0.03     0.01  -0.04   0.01
    19   1    -0.08   0.11   0.00    -0.01   0.07  -0.00     0.01  -0.06  -0.01
    20   1     0.04  -0.07  -0.04     0.05   0.30   0.05    -0.15   0.19   0.15
    21   1     0.13  -0.11  -0.15     0.50  -0.04  -0.12     0.33  -0.13  -0.19
    22   1     0.02  -0.20  -0.04    -0.05  -0.29  -0.06    -0.27  -0.41  -0.08
    23   1    -0.01   0.04   0.02     0.02  -0.16   0.00     0.10  -0.15  -0.12
    24   1     0.03  -0.06   0.03     0.03  -0.00   0.01    -0.02   0.44  -0.14
    25   1     0.03  -0.01  -0.07     0.06  -0.07   0.15    -0.24   0.10   0.32
    26   1    -0.17   0.09  -0.32     0.16  -0.09   0.25    -0.03   0.01  -0.06
                      4                      5                      6
                      A                      A                      A
 Frequencies --    210.9931               231.2244               297.7815
 Red. masses --      1.8294                 1.2403                 1.8681
 Frc consts  --      0.0480                 0.0391                 0.0976
 IR Inten    --      0.0066                 0.0742                 0.0695
 RamAct Fr= 1--      0.3106                 0.2580                 0.4036
  Dep-P Fr= 1--      0.6275                 0.5961                 0.5804
  Dep-U Fr= 1--      0.7711                 0.7470                 0.7345
 Alpha2 Fr= 1--      0.0007                 0.0007                 0.0013
 Beta2  Fr= 1--      0.0399                 0.0321                 0.0494
 AlphaG Fr= 1--      0.0008                 0.0078                -0.0070
 Gamma2 Fr= 1--     -0.3003                 0.0876                -0.0257
 Delta2 Fr= 1--     -0.2343                -0.1144                 0.1501
 Raman1 Fr= 1--       1.243                  1.032                  1.614
 ROA1   Fr= 1--     -36.324                  4.749                  2.337
 CID1   Fr= 1--     -29.235                  4.602                  1.448
 Raman2 Fr= 1--       0.479                  0.385                  0.593
 ROA2   Fr= 1--      -5.333                  3.017                 -1.817
 CID2   Fr= 1--     -11.131                  7.828                 -3.065
 Raman3 Fr= 1--       0.958                  0.771                  1.186
 ROA3   Fr= 1--     -36.324                  4.749                  2.337
 CID3   Fr= 1--     -37.911                  6.161                  1.972
 RC180  Fr= 1--       0.542                  0.494                  0.469
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.03   0.00   0.05    -0.03  -0.00   0.03    -0.05  -0.01  -0.02
     2   6    -0.04   0.03  -0.03    -0.04  -0.03   0.03    -0.07  -0.12   0.13
     3   6    -0.01   0.00   0.02    -0.00   0.01  -0.02    -0.01  -0.03   0.00
     4   6     0.04   0.04   0.05    -0.00   0.00   0.03     0.02  -0.00  -0.01
     5   6    -0.00  -0.04  -0.02     0.01   0.00  -0.05    -0.00  -0.01  -0.02
     6   6     0.00  -0.01  -0.02     0.02  -0.02  -0.03    -0.01   0.04  -0.04
     7   6     0.01  -0.01  -0.05    -0.01  -0.02  -0.02     0.01   0.02  -0.06
     8   6     0.02  -0.05  -0.04     0.01   0.01  -0.02     0.07  -0.01  -0.04
     9   1    -0.10  -0.02   0.09    -0.04  -0.02   0.03     0.10   0.06  -0.13
    10   1    -0.03   0.02  -0.05    -0.04  -0.02   0.10    -0.05  -0.08   0.44
    11   1    -0.08   0.06  -0.03    -0.08  -0.09   0.02    -0.15  -0.40   0.08
    12   1     0.02   0.09   0.08    -0.03   0.01   0.09     0.02   0.03  -0.00
    13   1     0.10   0.02   0.05     0.02   0.00   0.02     0.06  -0.01  -0.02
    14   1     0.03  -0.06   0.00     0.03   0.02  -0.07    -0.02  -0.02  -0.02
    15   6     0.08  -0.10  -0.07     0.07   0.01  -0.02     0.06   0.13  -0.01
    16   6    -0.07   0.14   0.09    -0.02   0.02   0.04    -0.03  -0.01   0.05
    17   1    -0.01  -0.03  -0.09    -0.03  -0.04  -0.02     0.02   0.05  -0.12
    18   1     0.02  -0.06  -0.05     0.00   0.03  -0.02     0.08   0.01  -0.06
    19   1     0.03  -0.07  -0.05     0.00   0.03  -0.01     0.10  -0.05  -0.04
    20   1     0.14  -0.23  -0.16     0.18  -0.24  -0.20    -0.02   0.40   0.06
    21   1    -0.03  -0.08  -0.13    -0.24   0.05   0.08     0.37   0.09   0.00
    22   1     0.19  -0.09   0.04     0.29   0.26   0.06    -0.10  -0.05  -0.07
    23   1    -0.25   0.50   0.28     0.10  -0.31  -0.12    -0.13   0.06   0.10
    24   1     0.07  -0.10   0.37     0.02   0.43  -0.13     0.01  -0.11   0.15
    25   1    -0.11   0.16  -0.28    -0.21   0.02   0.45     0.03  -0.01  -0.02
    26   1     0.03  -0.01   0.09    -0.03   0.03   0.05    -0.23   0.06  -0.11
                      7                      8                      9
                      A                      A                      A
 Frequencies --    359.1272               385.1849               394.2225
 Red. masses --      2.2799                 2.4473                 2.3202
 Frc consts  --      0.1732                 0.2139                 0.2125
 IR Inten    --      1.0175                 0.1708                 0.8245
 RamAct Fr= 1--      2.6388                 1.5675                 0.8343
  Dep-P Fr= 1--      0.4749                 0.5127                 0.6825
  Dep-U Fr= 1--      0.6439                 0.6779                 0.8113
 Alpha2 Fr= 1--      0.0146                 0.0073                 0.0010
 Beta2  Fr= 1--      0.2832                 0.1771                 0.1128
 AlphaG Fr= 1--      0.0119                 0.0036                 0.0045
 Gamma2 Fr= 1--      1.2226                -0.1685                -0.5122
 Delta2 Fr= 1--      0.4403                 0.0126                -0.2605
 Raman1 Fr= 1--      10.555                  6.270                  3.337
 ROA1   Fr= 1--     131.457                -15.773                -57.507
 CID1   Fr= 1--      12.454                 -2.516                -17.231
 Raman2 Fr= 1--       3.398                  2.125                  1.354
 ROA2   Fr= 1--      25.819                 -4.145                -10.208
 CID2   Fr= 1--       7.597                 -1.950                 -7.540
 Raman3 Fr= 1--       6.797                  4.250                  2.708
 ROA3   Fr= 1--     131.457                -15.773                -57.507
 CID3   Fr= 1--      19.340                 -3.711                -21.239
 RC180  Fr= 1--       0.288                  0.356                  0.623
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.02  -0.09   0.00     0.08   0.04   0.04     0.03   0.09   0.04
     2   6     0.04  -0.06  -0.03     0.06   0.01   0.01    -0.07  -0.02   0.01
     3   6     0.04  -0.03  -0.10     0.03   0.06   0.02     0.10   0.09  -0.03
     4   6     0.13   0.04   0.10    -0.03   0.01  -0.01    -0.11  -0.07  -0.05
     5   6     0.02   0.03  -0.13     0.03   0.05  -0.01     0.11   0.01  -0.04
     6   6     0.01  -0.04  -0.05    -0.03   0.04  -0.04     0.09  -0.09  -0.01
     7   6    -0.01  -0.05   0.04     0.06   0.06  -0.07    -0.01  -0.10  -0.01
     8   6    -0.09   0.08   0.01     0.05   0.01  -0.06    -0.04  -0.04  -0.04
     9   1    -0.08  -0.21   0.06     0.05   0.01   0.06    -0.01   0.08   0.08
    10   1     0.04  -0.08  -0.13     0.06   0.02   0.11    -0.16   0.01   0.05
    11   1     0.09   0.04  -0.02    -0.01  -0.09  -0.01    -0.10  -0.07  -0.00
    12   1     0.03   0.23   0.29    -0.02  -0.08  -0.05    -0.10  -0.37  -0.05
    13   1     0.37  -0.05   0.13    -0.13   0.04  -0.02    -0.37   0.04  -0.11
    14   1     0.01   0.09  -0.20     0.09   0.03   0.00     0.21  -0.01  -0.04
    15   6    -0.08   0.07   0.01    -0.15  -0.06  -0.07    -0.06   0.02   0.07
    16   6    -0.05   0.01   0.05    -0.07  -0.14   0.17     0.04   0.09   0.03
    17   1    -0.01  -0.07   0.16     0.11   0.12  -0.11    -0.08  -0.19   0.03
    18   1    -0.14   0.06   0.07     0.01  -0.03  -0.02    -0.06  -0.12  -0.00
    19   1    -0.17   0.18  -0.01     0.04  -0.02  -0.13    -0.11   0.03  -0.06
    20   1    -0.16   0.23   0.15    -0.17  -0.21   0.05    -0.14   0.13   0.24
    21   1     0.02   0.06   0.14    -0.27  -0.04  -0.21    -0.00   0.01   0.18
    22   1    -0.23   0.10  -0.15    -0.18  -0.07  -0.10    -0.22   0.08  -0.12
    23   1    -0.16   0.06   0.10    -0.32  -0.30   0.16     0.02   0.22   0.09
    24   1     0.05   0.01   0.16     0.02  -0.17   0.28     0.17   0.16   0.13
    25   1    -0.10   0.01   0.03     0.08  -0.16   0.35    -0.15   0.11  -0.06
    26   1     0.15  -0.07   0.12     0.12   0.05   0.07     0.04   0.17   0.11
                     10                     11                     12
                      A                      A                      A
 Frequencies --    420.0343               456.1624               480.2945
 Red. masses --      2.1714                 2.9831                 3.2389
 Frc consts  --      0.2257                 0.3657                 0.4402
 IR Inten    --      0.7982                 0.6548                 0.2993
 RamAct Fr= 1--      1.2526                 1.2832                 6.5761
  Dep-P Fr= 1--      0.4165                 0.5132                 0.3951
  Dep-U Fr= 1--      0.5881                 0.6783                 0.5664
 Alpha2 Fr= 1--      0.0087                 0.0060                 0.0496
 Beta2  Fr= 1--      0.1228                 0.1451                 0.6208
 AlphaG Fr= 1--     -0.0217                -0.0078                -0.0252
 Gamma2 Fr= 1--     -0.4670                -0.6309                 0.8185
 Delta2 Fr= 1--     -0.0302                -0.3099                 0.5162
 Raman1 Fr= 1--       5.010                  5.133                 26.304
 ROA1   Fr= 1--     -45.793                -70.482                 95.093
 CID1   Fr= 1--      -9.140                -13.731                  3.615
 Raman2 Fr= 1--       1.473                  1.741                  7.449
 ROA2   Fr= 1--     -10.966                -12.663                 15.514
 CID2   Fr= 1--      -7.443                 -7.274                  2.083
 Raman3 Fr= 1--       2.946                  3.482                 14.899
 ROA3   Fr= 1--     -45.793                -70.482                 95.093
 CID3   Fr= 1--     -15.542                -20.244                  6.383
 RC180  Fr= 1--       0.176                  0.357                  0.133
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.04   0.02  -0.07    -0.15  -0.04  -0.05     0.04   0.04   0.01
     2   6    -0.06   0.05  -0.06    -0.06   0.04   0.01     0.10   0.02   0.05
     3   6     0.01  -0.06   0.04    -0.08  -0.04  -0.11    -0.12   0.14  -0.11
     4   6     0.02  -0.06  -0.03    -0.01   0.03   0.01    -0.14   0.16   0.02
     5   6     0.04   0.01  -0.02    -0.04  -0.02  -0.07    -0.11  -0.08  -0.07
     6   6    -0.02  -0.06  -0.03     0.14   0.04   0.08    -0.03  -0.11  -0.01
     7   6    -0.07  -0.05   0.03     0.03   0.05  -0.04     0.12  -0.10   0.04
     8   6     0.18   0.10   0.09     0.07   0.02  -0.05     0.13  -0.06  -0.00
     9   1     0.03   0.17  -0.10    -0.14  -0.10  -0.07    -0.07  -0.25   0.04
    10   1    -0.10   0.03  -0.29     0.03   0.04   0.09    -0.01   0.03  -0.02
    11   1     0.06   0.24  -0.02    -0.11  -0.03  -0.01     0.14   0.06   0.06
    12   1     0.05  -0.09  -0.09    -0.09   0.15   0.17    -0.14   0.27   0.02
    13   1    -0.02  -0.03  -0.07     0.18  -0.02  -0.01    -0.12   0.08   0.16
    14   1     0.05   0.10  -0.14    -0.18  -0.02  -0.03    -0.02  -0.10  -0.06
    15   6    -0.02   0.00   0.00    -0.09  -0.09   0.10     0.02   0.01   0.05
    16   6    -0.07  -0.03   0.06     0.21   0.03   0.08    -0.06  -0.04  -0.03
    17   1    -0.11  -0.10  -0.00    -0.04  -0.02  -0.10     0.12  -0.09  -0.02
    18   1     0.37   0.23  -0.14     0.12   0.16  -0.11     0.18   0.26  -0.07
    19   1     0.32   0.14   0.40     0.17  -0.06   0.05     0.33  -0.24   0.14
    20   1    -0.03   0.06   0.00    -0.16  -0.27   0.35     0.01   0.17   0.01
    21   1    -0.01  -0.00   0.10    -0.24  -0.06  -0.07     0.11  -0.01   0.25
    22   1    -0.03   0.07  -0.04    -0.22  -0.09  -0.03     0.00   0.09  -0.01
    23   1    -0.12   0.01   0.09     0.24   0.02   0.07     0.01   0.01  -0.03
    24   1     0.02   0.01   0.14     0.18   0.01   0.05    -0.08  -0.04  -0.05
    25   1    -0.14  -0.02   0.07     0.25   0.03   0.08    -0.10  -0.03  -0.09
    26   1    -0.12  -0.03  -0.17    -0.14  -0.03  -0.03     0.21   0.09   0.18
                     13                     14                     15
                      A                      A                      A
 Frequencies --    534.0723               616.0103               649.6223
 Red. masses --      2.3221                 3.4550                 2.7700
 Frc consts  --      0.3902                 0.7725                 0.6887
 IR Inten    --      3.2799                 2.6774                 0.7256
 RamAct Fr= 1--      1.5825                 1.7117                22.6307
  Dep-P Fr= 1--      0.4164                 0.7231                 0.0065
  Dep-U Fr= 1--      0.5880                 0.8393                 0.0130
 Alpha2 Fr= 1--      0.0110                 0.0008                 0.4953
 Beta2  Fr= 1--      0.1551                 0.2394                 0.0489
 AlphaG Fr= 1--     -0.0353                -0.0125                 0.2998
 Gamma2 Fr= 1--      0.9016                -1.6798                -0.2814
 Delta2 Fr= 1--      0.5848                -0.8578                -0.1563
 Raman1 Fr= 1--       6.330                  6.847                 90.523
 ROA1   Fr= 1--     105.265               -188.706                -32.012
 CID1   Fr= 1--      16.629                -27.561                 -0.354
 Raman2 Fr= 1--       1.861                  2.873                  0.587
 ROA2   Fr= 1--      16.960                -33.452                 -5.502
 CID2   Fr= 1--       9.113                -11.642                 -9.378
 Raman3 Fr= 1--       3.722                  5.747                  1.173
 ROA3   Fr= 1--     105.265               -188.706                -32.012
 CID3   Fr= 1--      28.282                -32.837                -27.284
 RC180  Fr= 1--       0.176                  0.679                 -0.974
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.07  -0.01   0.03     0.06  -0.06   0.02    -0.05   0.03   0.03
     2   6     0.06   0.10   0.07     0.05  -0.15  -0.13     0.01   0.14   0.09
     3   6    -0.12  -0.05   0.16    -0.10   0.02   0.21     0.08  -0.03  -0.09
     4   6    -0.02   0.03  -0.03    -0.04   0.11  -0.01     0.06  -0.08  -0.01
     5   6     0.01  -0.04  -0.07     0.01   0.13  -0.02     0.04   0.02  -0.11
     6   6     0.07  -0.06  -0.09    -0.02  -0.06   0.05    -0.06  -0.03   0.06
     7   6     0.10  -0.03   0.06    -0.01  -0.04  -0.12     0.08   0.09  -0.03
     8   6    -0.04  -0.03   0.00    -0.01   0.11  -0.13     0.02  -0.01  -0.04
     9   1     0.22   0.18  -0.16     0.17   0.13  -0.02     0.09   0.08  -0.07
    10   1     0.08   0.07  -0.10     0.05  -0.13   0.00     0.09   0.12   0.08
    11   1     0.07   0.26   0.10    -0.04  -0.25  -0.16    -0.07   0.15   0.08
    12   1    -0.06  -0.01   0.04    -0.09   0.08   0.08    -0.11  -0.25   0.33
    13   1     0.11   0.15  -0.32     0.11   0.25  -0.33     0.17   0.01  -0.25
    14   1     0.10  -0.03  -0.11     0.16   0.13  -0.05     0.03   0.06  -0.18
    15   6    -0.01   0.04  -0.08     0.03  -0.08   0.17     0.02  -0.08   0.17
    16   6     0.04  -0.00   0.01    -0.02   0.00  -0.01    -0.16  -0.04  -0.06
    17   1     0.04  -0.10   0.07     0.07   0.03   0.02     0.08   0.13  -0.20
    18   1    -0.21  -0.06   0.21     0.07   0.06  -0.22    -0.10  -0.01   0.10
    19   1    -0.16  -0.02  -0.21    -0.00   0.19  -0.00    -0.05  -0.04  -0.22
    20   1    -0.06   0.09   0.00     0.03  -0.07   0.19     0.05  -0.03   0.08
    21   1    -0.04   0.03   0.07     0.04  -0.08   0.20     0.06  -0.09   0.20
    22   1    -0.08   0.17  -0.22     0.03  -0.07   0.17     0.07  -0.10   0.24
    23   1    -0.07  -0.03   0.02     0.12   0.09  -0.01    -0.05  -0.01  -0.07
    24   1     0.12   0.01   0.09    -0.05   0.04  -0.07    -0.24  -0.06  -0.14
    25   1     0.02  -0.00   0.05    -0.12   0.02  -0.10    -0.16  -0.04  -0.12
    26   1    -0.32  -0.15  -0.28    -0.04  -0.23  -0.20    -0.17   0.06  -0.05
                     16                     17                     18
                      A                      A                      A
 Frequencies --    734.4905               777.6637               799.5220
 Red. masses --      1.4072                 2.2336                 1.5741
 Frc consts  --      0.4473                 0.7959                 0.5928
 IR Inten    --      0.4474                 2.1128                 0.3752
 RamAct Fr= 1--      3.8866                 6.2550                 1.4675
  Dep-P Fr= 1--      0.2198                 0.0686                 0.7151
  Dep-U Fr= 1--      0.3603                 0.1283                 0.8339
 Alpha2 Fr= 1--      0.0501                 0.1182                 0.0009
 Beta2  Fr= 1--      0.2334                 0.1338                 0.2040
 AlphaG Fr= 1--     -0.4494                 0.4995                -0.0499
 Gamma2 Fr= 1--     -0.4439                 0.9760                 0.1701
 Delta2 Fr= 1--      0.4238                 0.8834                 1.5194
 Raman1 Fr= 1--      15.546                 25.020                  5.870
 ROA1   Fr= 1--     -29.055                121.964                 64.951
 CID1   Fr= 1--      -1.869                  4.875                 11.065
 Raman2 Fr= 1--       2.801                  1.605                  2.448
 ROA2   Fr= 1--     -14.044                 16.357                 -8.073
 CID2   Fr= 1--      -5.014                 10.190                 -3.298
 Raman3 Fr= 1--       5.602                  3.210                  4.895
 ROA3   Fr= 1--     -29.055                121.964                 64.951
 CID3   Fr= 1--      -5.187                 37.989                 13.268
 RC180  Fr= 1--      -0.279                 -0.743                  0.668
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.01  -0.03  -0.01    -0.13  -0.11  -0.06     0.01   0.02  -0.08
     2   6     0.00  -0.06  -0.02    -0.01  -0.06  -0.03     0.03   0.07  -0.05
     3   6     0.03   0.06  -0.05    -0.02   0.06  -0.03    -0.04  -0.03   0.03
     4   6    -0.02   0.04   0.00    -0.06   0.08  -0.00    -0.01  -0.00   0.00
     5   6     0.03   0.01   0.02     0.16   0.07   0.02     0.02  -0.02   0.02
     6   6    -0.03   0.06   0.03    -0.00   0.01   0.00     0.03  -0.07  -0.03
     7   6    -0.03  -0.04   0.03     0.03   0.05  -0.00    -0.05   0.10  -0.02
     8   6     0.02  -0.07   0.04     0.09  -0.06   0.11    -0.01  -0.03   0.11
     9   1     0.08  -0.00  -0.07    -0.13  -0.17  -0.07    -0.28  -0.11   0.13
    10   1    -0.01  -0.08  -0.15     0.14  -0.11  -0.15     0.03   0.15   0.45
    11   1     0.06   0.07   0.00     0.03   0.08  -0.01     0.07  -0.42  -0.09
    12   1    -0.31  -0.22   0.56     0.04   0.18  -0.22    -0.10  -0.04   0.16
    13   1     0.18   0.25  -0.49    -0.24  -0.01   0.27     0.15   0.11  -0.27
    14   1     0.02  -0.04   0.09     0.25   0.17  -0.13     0.03   0.02  -0.04
    15   6    -0.02   0.04  -0.04     0.00  -0.01   0.03     0.01  -0.01  -0.02
    16   6     0.01   0.01   0.01    -0.03  -0.00  -0.02    -0.00  -0.02  -0.01
    17   1     0.01   0.01   0.03     0.08   0.13  -0.14    -0.09   0.06  -0.09
    18   1     0.08  -0.06  -0.03    -0.07  -0.43   0.32     0.04  -0.11   0.05
    19   1     0.06  -0.08   0.11    -0.18   0.08  -0.21    -0.02  -0.01   0.11
    20   1     0.01  -0.02  -0.10     0.01  -0.02   0.02    -0.02   0.05   0.03
    21   1    -0.00   0.04  -0.17     0.01  -0.01   0.01     0.01  -0.02   0.13
    22   1     0.03  -0.06   0.05     0.02  -0.03   0.05    -0.03   0.10  -0.11
    23   1    -0.00  -0.02  -0.00    -0.08  -0.00  -0.00    -0.03   0.04   0.02
    24   1    -0.03  -0.03  -0.00     0.01   0.02   0.01     0.10   0.07   0.05
    25   1     0.09   0.00   0.03    -0.07  -0.00   0.00    -0.15  -0.00  -0.02
    26   1    -0.07  -0.01  -0.05    -0.13  -0.06  -0.02     0.35  -0.13   0.08
                     19                     20                     21
                      A                      A                      A
 Frequencies --    833.8524               864.3223               892.7482
 Red. masses --      2.2210                 2.3719                 2.1851
 Frc consts  --      0.9099                 1.0440                 1.0261
 IR Inten    --      0.3716                 5.0505                 0.7622
 RamAct Fr= 1--      2.8316                10.7290                 3.3192
  Dep-P Fr= 1--      0.2757                 0.4971                 0.2563
  Dep-U Fr= 1--      0.4323                 0.6641                 0.4080
 Alpha2 Fr= 1--      0.0312                 0.0537                 0.0387
 Beta2  Fr= 1--      0.2040                 1.1875                 0.2257
 AlphaG Fr= 1--     -0.0097                -0.3490                 0.0153
 Gamma2 Fr= 1--     -0.1064                -2.9229                 1.4576
 Delta2 Fr= 1--     -0.0940                -1.2868                 0.3570
 Raman1 Fr= 1--      11.326                 42.916                 13.277
 ROA1   Fr= 1--     -13.226               -321.773                151.357
 CID1   Fr= 1--      -1.168                 -7.498                 11.400
 Raman2 Fr= 1--       2.448                 14.250                  2.708
 ROA2   Fr= 1--      -1.802                -59.855                 32.127
 CID2   Fr= 1--      -0.736                 -4.200                 11.863
 Raman3 Fr= 1--       4.896                 28.500                  5.417
 ROA3   Fr= 1--     -13.226               -321.773                151.357
 CID3   Fr= 1--      -2.701                -11.290                 27.943
 RC180  Fr= 1--      -0.135                  0.328                 -0.184
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.04   0.11  -0.01    -0.11  -0.01   0.02     0.15  -0.00   0.09
     2   6    -0.04  -0.06  -0.11    -0.00  -0.07  -0.07    -0.05  -0.02  -0.01
     3   6    -0.02  -0.03   0.06     0.08   0.05  -0.03    -0.02  -0.01  -0.02
     4   6     0.01  -0.03   0.01     0.04   0.02  -0.01    -0.01   0.00  -0.04
     5   6    -0.00  -0.06  -0.10    -0.08  -0.05   0.16    -0.06   0.02  -0.05
     6   6    -0.04   0.07   0.04     0.06  -0.08  -0.04    -0.05  -0.06   0.00
     7   6     0.16  -0.10  -0.00     0.13   0.06  -0.06    -0.01   0.04  -0.13
     8   6     0.01   0.03   0.11    -0.03   0.12   0.04    -0.02  -0.05   0.17
     9   1    -0.29   0.13   0.18    -0.05   0.11  -0.01     0.38   0.14  -0.07
    10   1    -0.27   0.01   0.03     0.12  -0.10  -0.11    -0.02  -0.04  -0.11
    11   1    -0.06  -0.23  -0.13    -0.14   0.02  -0.09    -0.25   0.13  -0.04
    12   1     0.07  -0.08  -0.09    -0.08  -0.28   0.24    -0.11   0.15   0.14
    13   1     0.01   0.05  -0.12    -0.17   0.06   0.03     0.09  -0.14   0.17
    14   1    -0.01   0.00  -0.20    -0.14  -0.18   0.33    -0.04   0.17  -0.26
    15   6    -0.01   0.03   0.01     0.02  -0.03  -0.02    -0.02  -0.01  -0.02
    16   6    -0.00   0.04   0.02    -0.02  -0.04  -0.03     0.09   0.00   0.04
    17   1     0.22  -0.02  -0.05     0.21   0.15  -0.05     0.08   0.20  -0.43
    18   1    -0.20   0.17   0.36    -0.15   0.35   0.17    -0.04   0.03   0.20
    19   1    -0.11   0.10  -0.04     0.01   0.02  -0.00    -0.04  -0.04   0.15
    20   1     0.02  -0.05  -0.04    -0.02   0.06   0.03    -0.01   0.06  -0.09
    21   1     0.01   0.04  -0.17    -0.00  -0.04   0.19     0.01  -0.02   0.06
    22   1     0.03  -0.12   0.14    -0.03   0.13  -0.16     0.01   0.03  -0.03
    23   1     0.04  -0.09  -0.04    -0.10   0.03   0.01     0.19   0.09   0.05
    24   1    -0.19  -0.14  -0.09     0.14   0.07   0.08     0.09   0.07   0.00
    25   1     0.27   0.01   0.03    -0.20  -0.02  -0.02    -0.03   0.02  -0.04
    26   1     0.17   0.04   0.10    -0.20   0.07   0.01    -0.14   0.07  -0.10
                     22                     23                     24
                      A                      A                      A
 Frequencies --    909.6935               919.4357               941.1284
 Red. masses --      1.4301                 1.8501                 2.0311
 Frc consts  --      0.6973                 0.9215                 1.0599
 IR Inten    --     35.2518                 5.6351                 1.6390
 RamAct Fr= 1--     10.9744                 1.7769                 5.4076
  Dep-P Fr= 1--      0.7013                 0.5187                 0.4757
  Dep-U Fr= 1--      0.8244                 0.6831                 0.6447
 Alpha2 Fr= 1--      0.0093                 0.0080                 0.0298
 Beta2  Fr= 1--      1.5080                 0.2023                 0.5811
 AlphaG Fr= 1--     -0.0631                -0.0938                 0.0715
 Gamma2 Fr= 1--     -0.4449                 0.6865                 3.9292
 Delta2 Fr= 1--      0.0635                -0.3299                 1.8535
 Raman1 Fr= 1--      43.898                  7.108                 21.630
 ROA1   Fr= 1--     -40.682                 55.353                436.513
 CID1   Fr= 1--      -0.927                  7.788                 20.180
 Raman2 Fr= 1--      18.096                  2.428                  6.973
 ROA2   Fr= 1--     -11.187                 19.116                 79.472
 CID2   Fr= 1--      -0.618                  7.874                 11.397
 Raman3 Fr= 1--      36.191                  4.855                 13.946
 ROA3   Fr= 1--     -40.682                 55.353                436.513
 CID3   Fr= 1--      -1.124                 11.401                 31.301
 RC180  Fr= 1--       0.649                  0.366                  0.289
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.03  -0.01   0.00     0.04   0.06  -0.02    -0.08   0.05   0.01
     2   6     0.03   0.02  -0.01    -0.06  -0.00  -0.00     0.03  -0.08  -0.05
     3   6    -0.02  -0.01   0.06    -0.06  -0.06  -0.01     0.04   0.01   0.03
     4   6     0.08   0.07  -0.12    -0.01  -0.04  -0.09     0.05  -0.02   0.03
     5   6     0.02  -0.03  -0.05    -0.03   0.13   0.11    -0.09   0.13  -0.06
     6   6    -0.01   0.02   0.01     0.02  -0.01  -0.01    -0.05  -0.05   0.01
     7   6    -0.02   0.00   0.02     0.05  -0.06   0.04    -0.01   0.08   0.09
     8   6    -0.02  -0.02  -0.01     0.10   0.02  -0.05     0.02  -0.10  -0.03
     9   1    -0.04   0.04   0.03    -0.08   0.02   0.07    -0.17   0.20   0.11
    10   1     0.06   0.03   0.11    -0.28   0.03  -0.06     0.07  -0.09  -0.07
    11   1     0.05  -0.10  -0.02    -0.00   0.00   0.01     0.13  -0.03  -0.03
    12   1    -0.23  -0.28   0.47    -0.26   0.19   0.39     0.12  -0.18  -0.10
    13   1    -0.38  -0.19   0.57     0.27  -0.26   0.17    -0.09   0.05  -0.03
    14   1     0.09  -0.02  -0.09    -0.16   0.15   0.12    -0.11   0.28  -0.26
    15   6    -0.00   0.01   0.00     0.01  -0.01  -0.01    -0.01  -0.04  -0.04
    16   6    -0.01   0.01   0.01    -0.00  -0.01  -0.02     0.05   0.01   0.04
    17   1    -0.04  -0.03   0.07     0.03  -0.09   0.07     0.11   0.20   0.20
    18   1     0.05   0.03  -0.10    -0.09  -0.27   0.19     0.07  -0.07  -0.09
    19   1     0.02   0.01   0.10    -0.06  -0.02  -0.38     0.19  -0.43  -0.14
    20   1     0.00  -0.01  -0.00    -0.01   0.03   0.01    -0.03   0.17  -0.10
    21   1     0.00   0.01  -0.04    -0.00  -0.02   0.08     0.04  -0.06   0.27
    22   1     0.01  -0.03   0.04    -0.01   0.05  -0.06     0.01   0.16  -0.13
    23   1     0.02  -0.02  -0.01    -0.09  -0.01  -0.00     0.18   0.04   0.03
    24   1    -0.07  -0.04  -0.03     0.07   0.03   0.04    -0.02   0.01  -0.04
    25   1     0.07   0.00   0.00    -0.05  -0.00   0.02     0.05   0.01  -0.02
    26   1     0.01  -0.09  -0.03     0.14   0.04   0.05    -0.05   0.08   0.06
                     25                     26                     27
                      A                      A                      A
 Frequencies --    956.9516               970.4257               992.5283
 Red. masses --      1.5056                 1.9395                 1.6957
 Frc consts  --      0.8124                 1.0761                 0.9842
 IR Inten    --      0.9269                 1.0595                 0.3031
 RamAct Fr= 1--      3.2438                 2.7788                 0.9831
  Dep-P Fr= 1--      0.6750                 0.7421                 0.5214
  Dep-U Fr= 1--      0.8060                 0.8519                 0.6854
 Alpha2 Fr= 1--      0.0043                 0.0004                 0.0044
 Beta2  Fr= 1--      0.4358                 0.3946                 0.1123
 AlphaG Fr= 1--      0.0189                 0.0043                 0.0367
 Gamma2 Fr= 1--      0.3731                -2.2762                -0.1269
 Delta2 Fr= 1--     -0.1350                -1.7260                -0.3016
 Raman1 Fr= 1--      12.975                 11.115                  3.932
 ROA1   Fr= 1--      31.504               -273.745                -21.833
 CID1   Fr= 1--       2.428                -24.628                 -5.552
 Raman2 Fr= 1--       5.229                  4.735                  1.348
 ROA2   Fr= 1--      10.035                -40.819                 -0.633
 CID2   Fr= 1--       1.919                 -8.621                 -0.470
 Raman3 Fr= 1--      10.458                  9.469                  2.695
 ROA3   Fr= 1--      31.504               -273.745                -21.833
 CID3   Fr= 1--       3.012                -28.908                 -8.101
 RC180  Fr= 1--       0.612                  0.704                  0.371
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.00   0.00   0.03    -0.04  -0.03  -0.05    -0.08   0.03   0.10
     2   6    -0.00  -0.01  -0.03     0.02   0.06   0.04     0.08   0.04  -0.07
     3   6     0.00  -0.00  -0.01     0.01   0.00  -0.00    -0.00  -0.00  -0.07
     4   6    -0.01  -0.01  -0.00     0.02   0.00   0.01    -0.06  -0.05  -0.03
     5   6    -0.01   0.03  -0.01     0.03   0.02   0.05     0.06   0.03   0.04
     6   6     0.09   0.02   0.05    -0.08  -0.09   0.10    -0.00  -0.02   0.04
     7   6     0.01   0.00   0.01     0.03  -0.06  -0.04     0.07  -0.03  -0.01
     8   6    -0.01  -0.04   0.03     0.01   0.06  -0.06    -0.05  -0.02   0.00
     9   1     0.05   0.09   0.01    -0.09  -0.16  -0.04     0.06   0.26   0.03
    10   1     0.01  -0.01   0.00     0.01   0.06   0.08     0.14   0.07   0.23
    11   1    -0.06  -0.03  -0.04     0.05  -0.01   0.04    -0.17  -0.20  -0.14
    12   1     0.00   0.06  -0.03     0.01  -0.08   0.01    -0.06   0.35  -0.03
    13   1     0.03  -0.04   0.03    -0.05   0.04  -0.03     0.26  -0.20   0.09
    14   1    -0.05   0.06  -0.04     0.10   0.01   0.04     0.12   0.04   0.01
    15   6     0.10   0.05  -0.04    -0.05   0.04  -0.10    -0.04   0.00  -0.03
    16   6    -0.11  -0.05   0.02     0.04  -0.05   0.12    -0.01   0.01  -0.00
    17   1    -0.00  -0.02   0.07     0.02  -0.04  -0.16     0.09  -0.06   0.27
    18   1     0.04  -0.03  -0.02    -0.05  -0.01   0.02     0.17  -0.11  -0.26
    19   1     0.03  -0.08   0.05    -0.10   0.18  -0.12     0.03   0.08   0.29
    20   1    -0.06  -0.25   0.48    -0.00   0.11  -0.27     0.01   0.11  -0.21
    21   1    -0.25   0.11  -0.28     0.03   0.03  -0.09     0.08  -0.02   0.05
    22   1    -0.22   0.07  -0.37     0.02   0.01  -0.00     0.06   0.00   0.07
    23   1     0.23   0.08  -0.01     0.63   0.23   0.10    -0.05  -0.04  -0.01
    24   1    -0.29  -0.01  -0.20    -0.20   0.08  -0.21    -0.03  -0.04   0.01
    25   1    -0.20  -0.03  -0.20    -0.20  -0.00  -0.25     0.06  -0.00   0.04
    26   1    -0.07   0.01  -0.02     0.07  -0.06   0.01    -0.24  -0.00  -0.06
                     28                     29                     30
                      A                      A                      A
 Frequencies --   1012.3060              1032.9575              1066.5896
 Red. masses --      1.4767                 1.8057                 1.7341
 Frc consts  --      0.8916                 1.1352                 1.1623
 IR Inten    --      0.1185                 0.1835                 0.4068
 RamAct Fr= 1--      1.4955                 5.0159                 5.5368
  Dep-P Fr= 1--      0.1880                 0.0979                 0.4685
  Dep-U Fr= 1--      0.3165                 0.1783                 0.6381
 Alpha2 Fr= 1--      0.0210                 0.0883                 0.0314
 Beta2  Fr= 1--      0.0789                 0.1490                 0.5888
 AlphaG Fr= 1--      0.0048                 0.0748                -0.0835
 Gamma2 Fr= 1--      0.8368                -0.0722                -0.7761
 Delta2 Fr= 1--      0.5322                -0.2518                -0.9452
 Raman1 Fr= 1--       5.982                 20.064                 22.147
 ROA1   Fr= 1--      97.365                -14.990               -104.751
 CID1   Fr= 1--      16.276                 -0.747                 -4.730
 Raman2 Fr= 1--       0.947                  1.788                  7.066
 ROA2   Fr= 1--      15.826                  0.281                -11.065
 CID2   Fr= 1--      16.718                  0.157                 -1.566
 Raman3 Fr= 1--       1.893                  3.577                 14.132
 ROA3   Fr= 1--      97.365                -14.990               -104.751
 CID3   Fr= 1--      51.427                 -4.191                 -7.412
 RC180  Fr= 1--      -0.367                 -0.643                  0.276
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.03  -0.09  -0.02    -0.01  -0.08   0.00     0.07  -0.09  -0.02
     2   6    -0.05   0.06  -0.01    -0.01   0.09  -0.02    -0.13   0.02  -0.06
     3   6     0.03   0.02  -0.01     0.03   0.01  -0.01     0.02   0.02   0.02
     4   6     0.02   0.02   0.02     0.05   0.03   0.04    -0.04  -0.00  -0.02
     5   6    -0.02   0.04   0.03    -0.08   0.13   0.02     0.07  -0.01  -0.03
     6   6     0.01   0.00   0.01     0.03  -0.01   0.02     0.01  -0.01   0.02
     7   6     0.03  -0.04  -0.02     0.06  -0.10  -0.02     0.03   0.09   0.11
     8   6     0.01  -0.00   0.01    -0.02  -0.04   0.03    -0.01  -0.01  -0.03
     9   1     0.11  -0.12  -0.09     0.09  -0.08  -0.08     0.07   0.03  -0.00
    10   1    -0.03   0.07   0.12    -0.06   0.13   0.19    -0.15   0.04   0.05
    11   1    -0.17  -0.07  -0.05    -0.14  -0.16  -0.07    -0.16  -0.08  -0.07
    12   1     0.04  -0.10  -0.02     0.13  -0.22  -0.09    -0.05   0.19  -0.01
    13   1    -0.10   0.09  -0.03    -0.21   0.13  -0.01     0.10  -0.08   0.05
    14   1     0.00   0.04   0.02    -0.19   0.26  -0.13     0.38  -0.17   0.11
    15   6     0.02  -0.07  -0.04    -0.03   0.07   0.02    -0.03   0.01  -0.01
    16   6    -0.04   0.09   0.03     0.01  -0.04  -0.06    -0.01  -0.02   0.01
    17   1    -0.10  -0.18  -0.05    -0.07  -0.26  -0.02    -0.00   0.04   0.20
    18   1    -0.01  -0.03   0.03    -0.02   0.06   0.04    -0.14   0.47   0.12
    19   1    -0.02   0.04   0.02     0.10  -0.23   0.02     0.21  -0.42  -0.16
    20   1    -0.05   0.17   0.03     0.04  -0.10  -0.09     0.01   0.03  -0.12
    21   1     0.00  -0.08   0.36     0.03   0.07  -0.29     0.05   0.00  -0.02
    22   1    -0.03   0.24  -0.26     0.04  -0.18   0.22     0.04  -0.03   0.09
    23   1    -0.01  -0.20  -0.10    -0.20   0.03   0.02     0.07   0.04   0.02
    24   1    -0.34  -0.24  -0.12     0.25   0.10   0.13    -0.03   0.01  -0.02
    25   1     0.48   0.03   0.08    -0.20  -0.02   0.04    -0.09  -0.01  -0.05
    26   1    -0.01  -0.11  -0.07    -0.04  -0.18  -0.10     0.02  -0.13  -0.09
                     31                     32                     33
                      A                      A                      A
 Frequencies --   1080.4611              1103.0372              1132.2573
 Red. masses --      1.8455                 1.3001                 1.4716
 Frc consts  --      1.2693                 0.9320                 1.1115
 IR Inten    --      1.1460                 0.1015                 5.1091
 RamAct Fr= 1--      2.4322                 2.7052                 2.7685
  Dep-P Fr= 1--      0.7129                 0.3655                 0.6051
  Dep-U Fr= 1--      0.8324                 0.5354                 0.7540
 Alpha2 Fr= 1--      0.0016                 0.0226                 0.0074
 Beta2  Fr= 1--      0.3374                 0.2414                 0.3479
 AlphaG Fr= 1--      0.0155                 0.0294                -0.1374
 Gamma2 Fr= 1--     -2.1946                 0.6268                -2.4774
 Delta2 Fr= 1--     -0.9036                 0.3854                -0.7082
 Raman1 Fr= 1--       9.729                 10.821                 11.074
 ROA1   Fr= 1--    -239.601                 72.504               -260.497
 CID1   Fr= 1--     -24.628                  6.700                -23.524
 Raman2 Fr= 1--       4.049                  2.897                  4.175
 ROA2   Fr= 1--     -45.442                 11.959                -53.792
 CID2   Fr= 1--     -11.223                  4.129                -12.885
 Raman3 Fr= 1--       8.098                  5.793                  8.350
 ROA3   Fr= 1--    -239.601                 72.504               -260.497
 CID3   Fr= 1--     -29.587                 12.515                -31.198
 RC180  Fr= 1--       0.665                  0.071                  0.508
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.05   0.02  -0.09    -0.03  -0.01   0.05    -0.00  -0.02   0.05
     2   6     0.00  -0.02   0.09     0.06  -0.00  -0.02    -0.00   0.02  -0.03
     3   6     0.00  -0.01   0.07     0.04   0.03  -0.02    -0.01  -0.01  -0.02
     4   6     0.00  -0.05  -0.03    -0.02  -0.02  -0.01     0.01   0.01   0.01
     5   6     0.05   0.13   0.02    -0.03   0.02   0.00     0.04   0.04  -0.08
     6   6     0.00   0.01   0.01    -0.00  -0.01  -0.02    -0.02   0.08   0.06
     7   6     0.05  -0.05  -0.05    -0.09  -0.04  -0.01    -0.02  -0.04   0.06
     8   6    -0.13  -0.07   0.00     0.05   0.01   0.00     0.02  -0.06  -0.03
     9   1    -0.21  -0.16  -0.00    -0.04   0.31   0.12     0.06   0.10   0.02
    10   1     0.01  -0.06  -0.14     0.25  -0.02   0.10    -0.24   0.09   0.07
    11   1     0.12   0.16   0.13     0.38  -0.14   0.02     0.13  -0.13  -0.02
    12   1    -0.03   0.11   0.03    -0.03   0.13  -0.01     0.05  -0.02  -0.07
    13   1     0.16  -0.13   0.04     0.10  -0.08   0.04    -0.09   0.02   0.05
    14   1     0.27   0.03   0.10     0.07  -0.06   0.08    -0.30  -0.23   0.37
    15   6     0.02  -0.01  -0.01     0.00   0.01   0.01     0.01  -0.05  -0.03
    16   6    -0.01   0.02  -0.02    -0.00   0.03   0.01     0.01  -0.05  -0.03
    17   1     0.11   0.08  -0.40    -0.31  -0.23  -0.38     0.19   0.26  -0.26
    18   1    -0.02   0.42  -0.14    -0.19   0.27   0.28    -0.04   0.11   0.04
    19   1     0.14  -0.18   0.36     0.02  -0.12  -0.21    -0.11   0.25   0.13
    20   1    -0.01  -0.00   0.07     0.01  -0.04   0.02    -0.04   0.12   0.03
    21   1    -0.03  -0.00   0.03    -0.00   0.01  -0.05    -0.02  -0.05   0.21
    22   1    -0.02   0.05  -0.08    -0.01  -0.03   0.02    -0.00   0.15  -0.15
    23   1    -0.10  -0.05  -0.02     0.01  -0.04  -0.02    -0.06   0.09   0.05
    24   1     0.02  -0.03   0.04    -0.05  -0.05  -0.01     0.15   0.11   0.05
    25   1     0.06   0.00   0.05     0.11   0.01   0.01    -0.21  -0.02   0.00
    26   1     0.14   0.07   0.10    -0.07  -0.10  -0.06    -0.03  -0.19  -0.11
                     34                     35                     36
                      A                      A                      A
 Frequencies --   1171.5632              1214.7820              1225.6054
 Red. masses --      1.5883                 1.5442                 1.5578
 Frc consts  --      1.2844                 1.3426                 1.3787
 IR Inten    --      2.2865                 1.4122                 1.0076
 RamAct Fr= 1--      9.0964                 9.9222                 2.6943
  Dep-P Fr= 1--      0.7486                 0.5577                 0.6774
  Dep-U Fr= 1--      0.8562                 0.7160                 0.8077
 Alpha2 Fr= 1--      0.0002                 0.0363                 0.0035
 Beta2  Fr= 1--      1.2981                 1.1841                 0.3627
 AlphaG Fr= 1--     -0.0030                -0.0613                -0.0133
 Gamma2 Fr= 1--      1.2763                -1.5502                -0.6074
 Delta2 Fr= 1--     -0.3530                 0.1572                 0.3845
 Raman1 Fr= 1--      36.386                 39.689                 10.777
 ROA1   Fr= 1--     111.229               -143.789                -46.010
 CID1   Fr= 1--       3.057                 -3.623                 -4.269
 Raman2 Fr= 1--      15.577                 14.209                  4.352
 ROA2   Fr= 1--      33.456                -38.462                -17.654
 CID2   Fr= 1--       2.148                 -2.707                 -4.056
 Raman3 Fr= 1--      31.155                 28.419                  8.704
 ROA3   Fr= 1--     111.229               -143.789                -46.010
 CID3   Fr= 1--       3.570                 -5.060                 -5.286
 RC180  Fr= 1--       0.712                  0.432                  0.615
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.03   0.03  -0.03     0.00  -0.01   0.02    -0.03   0.02   0.01
     2   6    -0.01  -0.05   0.01    -0.03  -0.01   0.02     0.06   0.03  -0.05
     3   6    -0.02  -0.02   0.05     0.01  -0.00  -0.02    -0.02   0.00   0.03
     4   6    -0.00   0.01  -0.01    -0.01   0.01   0.00     0.02  -0.02  -0.01
     5   6     0.03   0.04  -0.07     0.01   0.03  -0.01     0.02   0.08  -0.05
     6   6     0.13   0.03   0.06     0.12  -0.11  -0.07    -0.06  -0.06  -0.11
     7   6     0.01   0.03  -0.03     0.01   0.03   0.02    -0.05  -0.04   0.02
     8   6     0.01  -0.03   0.03    -0.04   0.02   0.01     0.02  -0.01   0.04
     9   1    -0.06   0.01   0.04    -0.04   0.17   0.08     0.16  -0.42  -0.22
    10   1     0.40  -0.13  -0.04    -0.29   0.02  -0.09     0.06   0.05   0.10
    11   1    -0.17   0.12  -0.01     0.27  -0.01   0.08    -0.25  -0.06  -0.12
    12   1    -0.01   0.02  -0.01     0.00   0.03  -0.02     0.03  -0.05  -0.01
    13   1    -0.03   0.02   0.00    -0.05   0.02   0.02     0.06  -0.05   0.02
    14   1    -0.42  -0.11   0.23    -0.28  -0.06   0.17    -0.12  -0.28   0.46
    15   6    -0.08  -0.02  -0.03    -0.05   0.04   0.03     0.02   0.02   0.04
    16   6    -0.05  -0.03   0.00    -0.04   0.04   0.04     0.01   0.03   0.04
    17   1    -0.29  -0.33   0.04     0.18   0.27  -0.23     0.10   0.13   0.09
    18   1    -0.02   0.04   0.06     0.12  -0.22  -0.17    -0.03   0.01   0.10
    19   1    -0.01   0.01   0.03     0.03  -0.05   0.05     0.03  -0.12  -0.08
    20   1     0.00   0.15  -0.29     0.05  -0.09  -0.16     0.02  -0.12   0.08
    21   1     0.15  -0.05   0.10     0.12   0.02  -0.14    -0.03   0.03  -0.07
    22   1     0.12   0.03   0.14     0.04  -0.13   0.21    -0.03  -0.11   0.07
    23   1     0.00   0.01  -0.00     0.09  -0.12  -0.06     0.13  -0.03  -0.01
    24   1    -0.11  -0.01  -0.07    -0.23  -0.12  -0.09    -0.07  -0.02  -0.03
    25   1    -0.13  -0.02  -0.07     0.17   0.02  -0.06     0.13   0.02  -0.04
    26   1     0.01   0.23   0.11     0.07  -0.28  -0.14    -0.13   0.31   0.15
                     37                     38                     39
                      A                      A                      A
 Frequencies --   1231.6600              1244.9767              1264.6837
 Red. masses --      1.7511                 2.2311                 1.4647
 Frc consts  --      1.5651                 2.0375                 1.3802
 IR Inten    --      1.1306                 2.5855                 1.1033
 RamAct Fr= 1--      8.5942                 4.4209                 4.2055
  Dep-P Fr= 1--      0.6451                 0.1593                 0.5613
  Dep-U Fr= 1--      0.7843                 0.2748                 0.7190
 Alpha2 Fr= 1--      0.0162                 0.0667                 0.0151
 Beta2  Fr= 1--      1.1234                 0.2025                 0.5040
 AlphaG Fr= 1--     -0.0385                -0.0229                -0.0541
 Gamma2 Fr= 1--     -1.5244                -1.5569                 1.1419
 Delta2 Fr= 1--     -0.6797                -0.6875                 0.6183
 Raman1 Fr= 1--      34.377                 17.684                 16.822
 ROA1   Fr= 1--    -168.091               -171.462                129.411
 CID1   Fr= 1--      -4.890                 -9.696                  7.693
 Raman2 Fr= 1--      13.481                  2.430                  6.048
 ROA2   Fr= 1--     -31.148                -31.866                 22.460
 CID2   Fr= 1--      -2.311                -13.113                  3.714
 Raman3 Fr= 1--      26.961                  4.860                 12.096
 ROA3   Fr= 1--    -168.091               -171.462                129.411
 CID3   Fr= 1--      -6.234                -35.278                 10.699
 RC180  Fr= 1--       0.569                 -0.450                  0.438
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.03  -0.05  -0.05     0.02   0.02   0.01     0.03  -0.03  -0.04
     2   6    -0.07   0.01  -0.01    -0.00  -0.00  -0.05    -0.03   0.01   0.04
     3   6     0.05   0.03   0.03    -0.05  -0.04   0.00    -0.00  -0.01  -0.02
     4   6    -0.01  -0.01  -0.01     0.01   0.01   0.00    -0.00   0.02   0.01
     5   6    -0.09   0.03  -0.01     0.02  -0.03  -0.01     0.02   0.02  -0.06
     6   6    -0.03  -0.08  -0.04     0.04  -0.14   0.22    -0.11  -0.02   0.02
     7   6     0.05   0.04   0.08    -0.06  -0.01   0.08     0.04  -0.03   0.00
     8   6     0.06  -0.11  -0.07     0.01   0.06  -0.05    -0.03   0.08   0.05
     9   1    -0.12   0.21   0.12     0.09  -0.16  -0.07    -0.20   0.43   0.22
    10   1     0.39  -0.06   0.08     0.19  -0.02   0.09     0.31  -0.06   0.02
    11   1    -0.16   0.06  -0.01    -0.09  -0.02  -0.06    -0.22   0.11   0.01
    12   1    -0.03   0.05   0.03     0.02  -0.07  -0.01     0.00   0.01  -0.01
    13   1     0.07  -0.03  -0.01    -0.05   0.04  -0.02    -0.06   0.04  -0.00
    14   1     0.06  -0.03   0.04     0.04   0.04  -0.11    -0.04  -0.23   0.29
    15   6     0.01   0.04   0.02     0.01   0.05  -0.06     0.04   0.01  -0.00
    16   6     0.01   0.02   0.00    -0.01   0.06  -0.08     0.03   0.01  -0.01
    17   1     0.04   0.05  -0.02     0.14   0.32  -0.40    -0.00  -0.08  -0.02
    18   1    -0.03   0.07   0.04     0.01  -0.03  -0.05     0.15  -0.33  -0.15
    19   1    -0.28   0.64   0.28     0.04  -0.06  -0.17     0.12  -0.28  -0.13
    20   1     0.03  -0.12   0.03     0.02  -0.00  -0.09    -0.01  -0.04   0.13
    21   1    -0.03   0.05  -0.15    -0.05   0.07  -0.22    -0.11   0.03  -0.01
    22   1    -0.05  -0.11   0.05    -0.07   0.03  -0.13    -0.07  -0.02  -0.10
    23   1     0.01  -0.03  -0.02    -0.32  -0.14  -0.09    -0.04   0.02   0.01
    24   1     0.02  -0.02   0.03     0.08  -0.15   0.14     0.09   0.01   0.05
    25   1     0.08   0.01   0.02     0.12   0.02   0.22     0.02   0.00   0.07
    26   1     0.03   0.07   0.04    -0.11   0.30   0.13     0.12  -0.14  -0.07
                     40                     41                     42
                      A                      A                      A
 Frequencies --   1288.8859              1293.3832              1317.6069
 Red. masses --      1.6423                 1.7058                 1.8432
 Frc consts  --      1.6074                 1.6813                 1.8853
 IR Inten    --      2.7381                 0.8457                 0.5052
 RamAct Fr= 1--      4.1617                 3.2351                 4.3005
  Dep-P Fr= 1--      0.5710                 0.5442                 0.3785
  Dep-U Fr= 1--      0.7269                 0.7048                 0.5491
 Alpha2 Fr= 1--      0.0141                 0.0128                 0.0343
 Beta2  Fr= 1--      0.5042                 0.3800                 0.3936
 AlphaG Fr= 1--     -0.0246                 0.0347                -0.0332
 Gamma2 Fr= 1--      4.2101                 0.6995                -2.5941
 Delta2 Fr= 1--      3.1810                 0.2272                -1.0897
 Raman1 Fr= 1--      16.647                 12.941                 17.202
 ROA1   Fr= 1--     505.965                 74.417               -283.907
 CID1   Fr= 1--      30.394                  5.751                -16.504
 Raman2 Fr= 1--       6.050                  4.561                  4.723
 ROA2   Fr= 1--      75.595                 14.970                -53.542
 CID2   Fr= 1--      12.495                  3.282                -11.337
 Raman3 Fr= 1--      12.100                  9.121                  9.446
 ROA3   Fr= 1--     505.965                 74.417               -283.907
 CID3   Fr= 1--      41.814                  8.159                -30.056
 RC180  Fr= 1--       0.454                  0.410                  0.098
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.02   0.06   0.02     0.02   0.04   0.04    -0.03  -0.04   0.01
     2   6     0.02  -0.02   0.05     0.03  -0.04  -0.00    -0.04   0.00  -0.02
     3   6    -0.00  -0.01  -0.02    -0.14  -0.08  -0.11     0.08   0.09   0.08
     4   6     0.00   0.00   0.00     0.07   0.01   0.04    -0.02  -0.04  -0.03
     5   6     0.06   0.02  -0.01    -0.05   0.08  -0.00    -0.09   0.00  -0.10
     6   6    -0.04  -0.10   0.07     0.03  -0.01   0.01    -0.03  -0.04   0.09
     7   6    -0.04   0.04  -0.12     0.02   0.06  -0.01     0.07   0.07  -0.06
     8   6     0.04  -0.06  -0.00     0.02  -0.03   0.01     0.01   0.02   0.05
     9   1    -0.01  -0.04  -0.02     0.02   0.12   0.05     0.11  -0.23  -0.13
    10   1    -0.06  -0.02  -0.06    -0.21   0.00  -0.07    -0.27   0.04  -0.08
    11   1    -0.06   0.12   0.05     0.02   0.03   0.00     0.52  -0.12   0.07
    12   1     0.02   0.01  -0.03     0.13  -0.32  -0.07    -0.02   0.05  -0.01
    13   1    -0.04   0.00   0.02    -0.11   0.08  -0.02     0.21  -0.15   0.06
    14   1    -0.23   0.00   0.09     0.70  -0.25   0.27     0.07  -0.23   0.18
    15   6     0.02   0.03  -0.02    -0.01   0.01   0.00     0.01   0.01  -0.02
    16   6     0.01   0.05  -0.02    -0.00   0.00  -0.00     0.02   0.01  -0.03
    17   1     0.03   0.01   0.55    -0.18  -0.18  -0.01    -0.16  -0.24   0.15
    18   1    -0.14   0.33   0.21     0.00  -0.05   0.04     0.14  -0.30  -0.11
    19   1    -0.05   0.07  -0.00    -0.05   0.12   0.10    -0.05   0.07  -0.00
    20   1     0.01  -0.04   0.02     0.01  -0.00  -0.05     0.00  -0.01   0.00
    21   1    -0.07   0.04  -0.09     0.02   0.00  -0.03    -0.04   0.02  -0.04
    22   1    -0.07  -0.03  -0.08     0.00  -0.01   0.02    -0.04   0.00  -0.06
    23   1    -0.11  -0.09  -0.05    -0.01  -0.03  -0.01    -0.13  -0.01  -0.00
    24   1     0.01  -0.11   0.06    -0.02  -0.02  -0.00     0.05  -0.05   0.04
    25   1     0.08   0.02   0.10    -0.01   0.00  -0.01    -0.06   0.00   0.09
    26   1     0.20  -0.45  -0.21    -0.03   0.03  -0.00    -0.10   0.11   0.07
                     43                     44                     45
                      A                      A                      A
 Frequencies --   1327.0278              1349.9229              1373.8691
 Red. masses --      1.6437                 1.6964                 1.4409
 Frc consts  --      1.7054                 1.8214                 1.6024
 IR Inten    --      1.8627                 1.4534                 0.2508
 RamAct Fr= 1--      1.1092                 3.5163                 2.1727
  Dep-P Fr= 1--      0.6760                 0.5707                 0.7378
  Dep-U Fr= 1--      0.8067                 0.7267                 0.8492
 Alpha2 Fr= 1--      0.0015                 0.0119                 0.0005
 Beta2  Fr= 1--      0.1491                 0.4259                 0.3075
 AlphaG Fr= 1--     -0.0011                -0.0194                -0.0007
 Gamma2 Fr= 1--      1.6256                -0.7378                -0.1304
 Delta2 Fr= 1--      1.0567                -0.8130                -0.2942
 Raman1 Fr= 1--       4.437                 14.065                  8.691
 ROA1   Fr= 1--     189.875                -96.844                -21.932
 CID1   Fr= 1--      42.794                 -6.885                 -2.524
 Raman2 Fr= 1--       1.790                  5.111                  3.690
 ROA2   Fr= 1--      30.561                -11.202                 -0.776
 CID2   Fr= 1--      17.077                 -2.192                 -0.210
 Raman3 Fr= 1--       3.579                 10.221                  7.380
 ROA3   Fr= 1--     189.875                -96.844                -21.932
 CID3   Fr= 1--      53.048                 -9.475                 -2.972
 RC180  Fr= 1--       0.613                  0.453                  0.698
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.04  -0.06   0.01    -0.01   0.13   0.07     0.03   0.02   0.03
     2   6    -0.02   0.02  -0.02    -0.07  -0.05  -0.05    -0.14   0.04  -0.02
     3   6    -0.05  -0.08  -0.03    -0.03   0.00  -0.03    -0.05  -0.02  -0.03
     4   6     0.00   0.04   0.01     0.01  -0.01   0.00     0.02   0.01   0.01
     5   6     0.12   0.00   0.04     0.05  -0.01   0.02    -0.00   0.02   0.01
     6   6    -0.09  -0.05  -0.03    -0.06  -0.01  -0.03     0.02   0.03  -0.01
     7   6     0.06   0.06  -0.01     0.09   0.05   0.09    -0.01  -0.07  -0.06
     8   6    -0.03  -0.03  -0.02    -0.03   0.00  -0.02    -0.00   0.01   0.01
     9   1    -0.00   0.18   0.09     0.17  -0.44  -0.19     0.08  -0.06  -0.03
    10   1    -0.17   0.05  -0.02     0.30  -0.12  -0.00     0.55  -0.07   0.12
    11   1     0.40  -0.10   0.04     0.07   0.00  -0.02     0.56  -0.06   0.10
    12   1    -0.02   0.06   0.03     0.03  -0.09  -0.03     0.04  -0.11  -0.02
    13   1    -0.21   0.15  -0.06     0.05  -0.04   0.03     0.00   0.01  -0.00
    14   1    -0.36   0.14  -0.03    -0.13   0.06  -0.03     0.11  -0.02   0.03
    15   6     0.03   0.02  -0.00     0.02   0.01  -0.00    -0.01  -0.02   0.02
    16   6     0.02   0.02   0.01     0.01  -0.01   0.00    -0.01  -0.01   0.01
    17   1    -0.16  -0.21   0.04    -0.26  -0.28  -0.33     0.32   0.23   0.31
    18   1    -0.03   0.19  -0.03     0.06  -0.04  -0.13    -0.04  -0.04   0.07
    19   1     0.01   0.01   0.09     0.00   0.01   0.05     0.05  -0.06   0.04
    20   1    -0.00  -0.07   0.11    -0.00  -0.05   0.08     0.01   0.04  -0.05
    21   1    -0.08   0.02   0.01    -0.04   0.01   0.04     0.02  -0.01  -0.04
    22   1    -0.05  -0.08  -0.02    -0.02  -0.06   0.01     0.01   0.07  -0.02
    23   1     0.03  -0.02  -0.01     0.04   0.03   0.01     0.01   0.02   0.01
    24   1     0.01  -0.03   0.02     0.03   0.02   0.01    -0.01   0.05  -0.02
    25   1     0.05   0.01   0.03     0.01  -0.01   0.01     0.02  -0.01  -0.04
    26   1    -0.24   0.47   0.21     0.12  -0.39  -0.24    -0.01   0.04   0.00
                     46                     47                     48
                      A                      A                      A
 Frequencies --   1405.5161              1423.6932              1456.8154
 Red. masses --      1.2580                 1.2170                 1.1947
 Frc consts  --      1.4642                 1.4534                 1.4939
 IR Inten    --      6.2356                 6.7113                 1.9831
 RamAct Fr= 1--      0.1528                 0.2463                32.6802
  Dep-P Fr= 1--      0.0806                 0.0456                 0.3434
  Dep-U Fr= 1--      0.1492                 0.0872                 0.5113
 Alpha2 Fr= 1--      0.0028                 0.0049                 0.2930
 Beta2  Fr= 1--      0.0038                 0.0036                 2.7848
 AlphaG Fr= 1--     -0.0011                 0.0082                -0.1278
 Gamma2 Fr= 1--      0.0868                -0.0866                -0.4859
 Delta2 Fr= 1--      0.0128                -0.0330                 0.3052
 Raman1 Fr= 1--       0.611                  0.985                130.721
 ROA1   Fr= 1--       8.746                 -9.374                -36.876
 CID1   Fr= 1--      14.307                 -9.516                 -0.282
 Raman2 Fr= 1--       0.046                  0.043                 33.417
 ROA2   Fr= 1--       1.981                 -1.815                -14.102
 CID2   Fr= 1--      43.445                -42.253                 -0.422
 Raman3 Fr= 1--       0.091                  0.086                 66.835
 ROA3   Fr= 1--       8.746                 -9.374                -36.876
 CID3   Fr= 1--      95.876               -109.090                 -0.552
 RC180  Fr= 1--      -0.702                 -0.826                  0.023
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.00  -0.00  -0.00     0.00  -0.00  -0.00    -0.02   0.03   0.01
     2   6    -0.00   0.00   0.01    -0.01   0.01   0.00    -0.01  -0.00  -0.01
     3   6    -0.00   0.00   0.00    -0.00   0.00  -0.00     0.07  -0.08   0.00
     4   6     0.00   0.00   0.00     0.00   0.00   0.00     0.02  -0.03  -0.00
     5   6    -0.01   0.00  -0.01    -0.01  -0.00   0.00    -0.04   0.02  -0.02
     6   6     0.02  -0.01   0.03     0.01   0.00   0.01     0.00   0.00   0.01
     7   6    -0.01  -0.00  -0.01    -0.01  -0.01  -0.00     0.00  -0.00   0.00
     8   6     0.01  -0.00   0.01     0.00   0.01  -0.01     0.00   0.00   0.00
     9   1    -0.01   0.00   0.01     0.01   0.01  -0.00     0.11  -0.09  -0.10
    10   1     0.01  -0.00  -0.03     0.05  -0.01  -0.01     0.04  -0.01   0.01
    11   1     0.03  -0.02   0.01     0.01  -0.02   0.00     0.03   0.00   0.00
    12   1     0.01  -0.02  -0.01     0.01  -0.03  -0.00    -0.12   0.64   0.20
    13   1     0.01  -0.01   0.00     0.02  -0.00   0.00    -0.58   0.27  -0.19
    14   1     0.03  -0.01   0.00     0.04   0.01  -0.02     0.15  -0.07   0.05
    15   6    -0.01   0.04  -0.09    -0.00   0.04  -0.09     0.00   0.00  -0.00
    16   6    -0.10  -0.02  -0.03     0.08   0.02   0.02     0.00  -0.00  -0.00
    17   1     0.03   0.03   0.03     0.05   0.05   0.01    -0.00  -0.00  -0.00
    18   1     0.03   0.02  -0.02    -0.04  -0.04   0.05     0.00  -0.05   0.01
    19   1    -0.04   0.01  -0.06     0.05  -0.01   0.06     0.00   0.00   0.01
    20   1    -0.11  -0.17   0.28    -0.11  -0.17   0.29    -0.00   0.01   0.00
    21   1     0.03  -0.00   0.39    -0.02   0.01   0.44    -0.02   0.00   0.02
    22   1     0.15  -0.27   0.26     0.13  -0.33   0.27     0.00  -0.02   0.01
    23   1     0.36   0.17  -0.04    -0.33  -0.15   0.03    -0.01   0.01   0.01
    24   1     0.29   0.18   0.25    -0.27  -0.20  -0.22     0.00   0.01  -0.01
    25   1     0.41  -0.07   0.11    -0.38   0.07  -0.07    -0.00  -0.00   0.00
    26   1    -0.01   0.01  -0.00     0.01   0.00   0.00     0.10  -0.04   0.04
                     49                     50                     51
                      A                      A                      A
 Frequencies --   1478.3650              1485.1541              1487.0037
 Red. masses --      1.0766                 1.0508                 1.0557
 Frc consts  --      1.3863                 1.3656                 1.3753
 IR Inten    --      3.6404                 3.0541                 2.3279
 RamAct Fr= 1--      5.4833                 6.2047                 1.5991
  Dep-P Fr= 1--      0.6073                 0.7465                 0.7417
  Dep-U Fr= 1--      0.7557                 0.8548                 0.8517
 Alpha2 Fr= 1--      0.0144                 0.0004                 0.0002
 Beta2  Fr= 1--      0.6906                 0.8840                 0.2270
 AlphaG Fr= 1--     -0.0011                 0.0031                -0.0017
 Gamma2 Fr= 1--     -0.8162                -0.5171                -0.4274
 Delta2 Fr= 1--      1.5337                -2.4985                -0.0992
 Raman1 Fr= 1--      21.933                 24.819                  6.397
 ROA1   Fr= 1--     -29.275               -129.595                -44.208
 CID1   Fr= 1--      -1.335                 -5.222                 -6.911
 Raman2 Fr= 1--       8.287                 10.608                  2.724
 ROA2   Fr= 1--     -31.858                  7.578                 -9.465
 CID2   Fr= 1--      -3.844                  0.714                 -3.475
 Raman3 Fr= 1--      16.574                 21.216                  5.448
 ROA3   Fr= 1--     -29.275               -129.595                -44.208
 CID3   Fr= 1--      -1.766                 -6.108                 -8.115
 RC180  Fr= 1--       0.511                  0.710                  0.703
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.06  -0.02  -0.01    -0.03  -0.01  -0.00    -0.01   0.00   0.00
     2   6    -0.01   0.01   0.01    -0.00  -0.01  -0.01    -0.00   0.02   0.01
     3   6    -0.02   0.00  -0.00    -0.00   0.00  -0.00    -0.01  -0.00  -0.01
     4   6    -0.00   0.01   0.00    -0.00   0.00   0.00     0.00  -0.00   0.00
     5   6     0.01  -0.00   0.00     0.00   0.00  -0.00     0.00   0.00   0.01
     6   6     0.00  -0.00   0.01    -0.01  -0.01  -0.00    -0.01   0.00  -0.02
     7   6     0.00   0.01   0.01     0.01   0.00   0.00     0.00  -0.00   0.00
     8   6    -0.00   0.01  -0.02    -0.00   0.00  -0.01    -0.00  -0.01   0.02
     9   1     0.42   0.31  -0.29     0.18   0.13  -0.12     0.06   0.04  -0.04
    10   1     0.03  -0.04  -0.19    -0.01   0.01   0.09     0.06  -0.03  -0.17
    11   1    -0.04  -0.20  -0.02     0.02   0.08   0.01    -0.03  -0.17  -0.02
    12   1     0.01  -0.07  -0.03     0.01  -0.03  -0.01     0.00   0.00   0.00
    13   1     0.06  -0.03   0.02     0.03  -0.01   0.01    -0.02   0.01  -0.00
    14   1    -0.03   0.01  -0.01    -0.02   0.00   0.00     0.01   0.00   0.01
    15   6     0.00   0.01   0.01    -0.00  -0.03  -0.02    -0.04   0.00  -0.00
    16   6    -0.00  -0.01   0.00    -0.01   0.03   0.01     0.01   0.01  -0.03
    17   1    -0.02  -0.01  -0.02    -0.01  -0.01  -0.01     0.01   0.00   0.01
    18   1    -0.10  -0.08   0.10    -0.02  -0.04   0.02     0.07   0.08  -0.08
    19   1     0.09  -0.02   0.12     0.02  -0.00   0.03    -0.08   0.02  -0.12
    20   1     0.08  -0.11  -0.13    -0.19   0.34   0.30    -0.04  -0.29   0.16
    21   1     0.02   0.00   0.10    -0.13   0.01  -0.25     0.46  -0.06  -0.09
    22   1    -0.14  -0.08  -0.09     0.34   0.17   0.23     0.13   0.32  -0.02
    23   1    -0.07   0.06   0.05     0.20  -0.31  -0.18     0.17   0.21   0.03
    24   1    -0.00   0.13  -0.07     0.13  -0.18   0.25    -0.10  -0.36   0.06
    25   1     0.11  -0.02  -0.02    -0.16   0.04  -0.17    -0.20   0.01   0.42
    26   1     0.47  -0.02   0.39     0.20  -0.01   0.16     0.06  -0.00   0.05
                     52                     53                     54
                      A                      A                      A
 Frequencies --   1502.6174              1505.2099              1515.4785
 Red. masses --      1.0715                 1.0673                 1.0670
 Frc consts  --      1.4254                 1.4248                 1.4438
 IR Inten    --      6.1075                 5.9165                 5.1318
 RamAct Fr= 1--      7.7086                 2.6807                 2.6415
  Dep-P Fr= 1--      0.7498                 0.6910                 0.7439
  Dep-U Fr= 1--      0.8570                 0.8173                 0.8531
 Alpha2 Fr= 1--      0.0000                 0.0028                 0.0003
 Beta2  Fr= 1--      1.1011                 0.3652                 0.3756
 AlphaG Fr= 1--      0.0009                 0.0005                -0.0051
 Gamma2 Fr= 1--     -1.2129                 2.4737                 1.3413
 Delta2 Fr= 1--      0.5407                 0.4687                 0.3001
 Raman1 Fr= 1--      30.835                 10.723                 10.566
 ROA1   Fr= 1--     -99.133                252.470                138.373
 CID1   Fr= 1--      -3.215                 23.545                 13.096
 Raman2 Fr= 1--      13.213                  4.382                  4.507
 ROA2   Fr= 1--     -33.435                 55.618                 29.791
 CID2   Fr= 1--      -2.531                 12.693                  6.610
 Raman3 Fr= 1--      26.425                  8.764                  9.014
 ROA3   Fr= 1--     -99.133                252.470                138.373
 CID3   Fr= 1--      -3.751                 28.809                 15.351
 RC180  Fr= 1--       0.714                  0.635                  0.706
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.00  -0.00  -0.00    -0.02  -0.01  -0.00    -0.00  -0.01  -0.00
     2   6     0.01  -0.02  -0.02    -0.00  -0.03  -0.03     0.00  -0.03  -0.03
     3   6     0.00   0.00   0.00    -0.00  -0.00  -0.00     0.00   0.01   0.00
     4   6    -0.00  -0.00  -0.00    -0.00   0.00   0.00    -0.00  -0.00  -0.00
     5   6     0.01  -0.00  -0.00    -0.00   0.00   0.01     0.00  -0.01  -0.01
     6   6    -0.02  -0.03   0.01     0.02   0.00  -0.03    -0.01   0.03   0.01
     7   6     0.00   0.01  -0.00    -0.00  -0.00  -0.00     0.00  -0.00  -0.00
     8   6     0.00   0.02  -0.03    -0.00  -0.00   0.01    -0.00   0.02  -0.03
     9   1     0.00   0.01  -0.00     0.10   0.07  -0.07     0.00   0.01  -0.01
    10   1    -0.07   0.04   0.23    -0.07   0.05   0.35    -0.07   0.06   0.35
    11   1     0.02   0.25   0.02     0.07   0.35   0.04     0.05   0.37   0.03
    12   1    -0.00   0.00  -0.00     0.00  -0.03  -0.01    -0.00   0.01   0.00
    13   1     0.01  -0.00   0.00     0.03  -0.01   0.01     0.00  -0.00   0.00
    14   1    -0.03  -0.01   0.01     0.00   0.01   0.00    -0.01   0.00  -0.01
    15   6    -0.03  -0.01  -0.02     0.02  -0.01   0.01    -0.01   0.02   0.01
    16   6     0.01  -0.03   0.01     0.00  -0.01  -0.03    -0.01   0.02  -0.00
    17   1    -0.03  -0.02  -0.00     0.01   0.01  -0.01    -0.01  -0.02   0.00
    18   1    -0.14  -0.13   0.16     0.03   0.04  -0.03    -0.16  -0.17   0.18
    19   1     0.15  -0.03   0.21    -0.04   0.00  -0.05     0.17  -0.05   0.23
    20   1    -0.12  -0.07   0.28    -0.00   0.24  -0.08     0.12  -0.35  -0.14
    21   1     0.26  -0.03  -0.19    -0.32   0.04   0.02     0.25  -0.03   0.17
    22   1     0.25   0.29   0.09    -0.03  -0.20   0.07    -0.19  -0.01  -0.17
    23   1    -0.26   0.21   0.16     0.08   0.38   0.13     0.23  -0.18  -0.13
    24   1    -0.08   0.31  -0.26    -0.17  -0.21  -0.09     0.11  -0.18   0.23
    25   1     0.26  -0.04   0.01    -0.06  -0.03   0.47    -0.16   0.03  -0.06
    26   1     0.00  -0.00   0.00     0.11   0.00   0.10     0.00   0.00   0.01
                     55                     56                     57
                      A                      A                      A
 Frequencies --   1523.4688              1711.3242              3023.7682
 Red. masses --      1.0841                 5.7703                 1.0391
 Frc consts  --      1.4825                 9.9566                 5.5975
 IR Inten    --      5.9389                33.4783                15.7442
 RamAct Fr= 1--      4.0285               111.8062                10.9339
  Dep-P Fr= 1--      0.3641                 0.1918                 0.4647
  Dep-U Fr= 1--      0.5338                 0.3219                 0.6345
 Alpha2 Fr= 1--      0.0338                 1.5515                 0.0631
 Beta2  Fr= 1--      0.3584                 5.9984                 1.1564
 AlphaG Fr= 1--      0.0153                -0.0124                -0.0242
 Gamma2 Fr= 1--     -0.9562                -2.5496                 0.4757
 Delta2 Fr= 1--     -0.4393                 2.5141                 0.1597
 Raman1 Fr= 1--      16.114                447.225                 43.736
 ROA1   Fr= 1--    -105.852               -164.313                 50.782
 CID1   Fr= 1--      -6.569                 -0.367                  1.161
 Raman2 Fr= 1--       4.301                 71.980                 13.876
 ROA2   Fr= 1--     -19.435                -81.303                 10.140
 CID2   Fr= 1--      -4.519                 -1.130                  0.731
 Raman3 Fr= 1--       8.601                143.960                 27.752
 ROA3   Fr= 1--    -105.852               -164.313                 50.782
 CID3   Fr= 1--     -12.306                 -1.141                  1.830
 RC180  Fr= 1--       0.068                 -0.356                  0.269
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.02   0.01   0.00     0.02  -0.06  -0.01    -0.00  -0.00  -0.00
     2   6     0.01   0.02   0.02    -0.00  -0.01  -0.00    -0.00   0.00   0.00
     3   6     0.01   0.00   0.00    -0.31   0.39   0.00    -0.00   0.00   0.00
     4   6    -0.00  -0.00  -0.00     0.26  -0.33  -0.00    -0.00  -0.00   0.00
     5   6    -0.00  -0.00  -0.01     0.05  -0.04   0.02    -0.00   0.00   0.00
     6   6     0.01  -0.01  -0.01     0.01  -0.00  -0.01     0.00  -0.00   0.00
     7   6    -0.00   0.01   0.00    -0.00   0.00   0.00     0.00  -0.00  -0.00
     8   6     0.00   0.03  -0.06     0.01  -0.00   0.00     0.00  -0.00   0.00
     9   1    -0.12  -0.09   0.09    -0.01   0.16   0.05     0.01  -0.00   0.01
    10   1     0.03  -0.04  -0.28     0.00  -0.01  -0.00    -0.01  -0.03   0.01
    11   1    -0.06  -0.28  -0.03    -0.01   0.01   0.00     0.01   0.00  -0.03
    12   1    -0.00   0.02   0.01     0.16   0.41   0.24    -0.00   0.00  -0.00
    13   1    -0.01   0.00  -0.01    -0.44  -0.05  -0.23     0.00   0.00   0.00
    14   1    -0.01  -0.01  -0.00    -0.17   0.07  -0.06    -0.00  -0.00  -0.00
    15   6     0.01  -0.01   0.00     0.00  -0.00  -0.00     0.01   0.02  -0.03
    16   6    -0.01   0.00  -0.02    -0.00   0.00   0.00    -0.04  -0.02   0.00
    17   1    -0.02   0.00  -0.00     0.00   0.00  -0.00    -0.02   0.02   0.00
    18   1    -0.29  -0.29   0.33     0.01   0.01   0.00    -0.02   0.00  -0.02
    19   1     0.29  -0.07   0.42    -0.01   0.02  -0.01     0.01   0.01  -0.00
    20   1    -0.02   0.19  -0.01    -0.01   0.03  -0.00     0.19   0.04   0.06
    21   1    -0.18   0.02  -0.05    -0.03   0.00  -0.01    -0.05  -0.40  -0.03
    22   1     0.03  -0.05   0.05     0.01  -0.01   0.02    -0.31   0.18   0.30
    23   1     0.16   0.15   0.02     0.00   0.00   0.00     0.04  -0.11   0.26
    24   1    -0.02  -0.16   0.06    -0.01   0.00  -0.01     0.34  -0.18  -0.33
    25   1    -0.04  -0.01   0.24     0.01  -0.00  -0.00     0.04   0.48   0.03
    26   1    -0.14  -0.00  -0.12     0.01  -0.02  -0.01     0.01   0.01  -0.01
                     58                     59                     60
                      A                      A                      A
 Frequencies --   3027.1885              3029.5247              3037.9431
 Red. masses --      1.0689                 1.0400                 1.0667
 Frc consts  --      5.7713                 5.6239                 5.8002
 IR Inten    --      4.7183                50.3511                26.3983
 RamAct Fr= 1--     31.4473               256.6790               124.7789
  Dep-P Fr= 1--      0.1637                 0.0328                 0.2533
  Dep-U Fr= 1--      0.2813                 0.0635                 0.4043
 Alpha2 Fr= 1--      0.4695                 5.2816                 1.4651
 Beta2  Fr= 1--      1.4746                 2.7156                 8.4072
 AlphaG Fr= 1--     -0.7320                -0.1474                -0.1459
 Gamma2 Fr= 1--      3.9136                -2.5176                 6.6746
 Delta2 Fr= 1--     11.3258                 2.3294                -5.4330
 Raman1 Fr= 1--     125.789               1026.716                499.115
 ROA1   Fr= 1--     738.133               -167.153                466.904
 CID1   Fr= 1--       5.868                 -0.163                  0.935
 Raman2 Fr= 1--      17.695                 32.587                100.886
 ROA2   Fr= 1--       3.320                -79.058                203.654
 CID2   Fr= 1--       0.188                 -2.426                  2.019
 Raman3 Fr= 1--      35.390                 65.174                201.773
 ROA3   Fr= 1--     738.133               -167.153                466.904
 CID3   Fr= 1--      20.857                 -2.565                  2.314
 RC180  Fr= 1--      -0.437                 -0.873                 -0.191
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.05   0.03  -0.03    -0.00  -0.00   0.00    -0.02  -0.02   0.02
     2   6    -0.01  -0.03  -0.00     0.00  -0.00  -0.00    -0.00  -0.04  -0.04
     3   6     0.00   0.00   0.00     0.00   0.00   0.00     0.00  -0.00   0.00
     4   6    -0.00   0.00   0.00    -0.00   0.00  -0.00     0.00  -0.00  -0.00
     5   6    -0.00   0.00   0.00     0.00   0.00   0.00     0.00  -0.00  -0.00
     6   6    -0.00   0.00   0.00    -0.00  -0.00   0.00    -0.00   0.00   0.00
     7   6    -0.01   0.01   0.00     0.01  -0.00  -0.00    -0.03   0.02   0.00
     8   6    -0.00  -0.00   0.00     0.00  -0.00   0.00     0.00   0.00  -0.00
     9   1    -0.15   0.05  -0.22     0.00  -0.00   0.00     0.02  -0.01   0.03
    10   1     0.08   0.39  -0.07     0.00   0.01  -0.00     0.11   0.56  -0.11
    11   1    -0.02  -0.02   0.10    -0.01  -0.01   0.05    -0.11  -0.08   0.55
    12   1     0.01   0.00   0.01     0.00   0.00   0.00    -0.00  -0.00  -0.00
    13   1    -0.00  -0.01  -0.01    -0.00  -0.00   0.00     0.00   0.01   0.00
    14   1    -0.00  -0.00  -0.00    -0.01  -0.04  -0.03     0.00   0.01   0.01
    15   6     0.00   0.00   0.00    -0.02  -0.02   0.03     0.00   0.00  -0.00
    16   6    -0.00  -0.00   0.00    -0.03  -0.01   0.00    -0.00  -0.00  -0.00
    17   1     0.08  -0.07  -0.01    -0.06   0.05   0.01     0.32  -0.28  -0.05
    18   1    -0.02  -0.00  -0.02    -0.02  -0.00  -0.02    -0.01  -0.00  -0.01
    19   1     0.07   0.04  -0.03     0.02   0.01  -0.01    -0.03  -0.02   0.01
    20   1    -0.01  -0.00  -0.00    -0.23  -0.04  -0.08    -0.01  -0.00  -0.01
    21   1     0.00  -0.00   0.00     0.06   0.46   0.03    -0.00  -0.03  -0.00
    22   1     0.00  -0.00  -0.00     0.36  -0.21  -0.35    -0.02   0.01   0.02
    23   1     0.00  -0.01   0.02     0.04  -0.10   0.23     0.00  -0.00   0.00
    24   1     0.02  -0.01  -0.02     0.29  -0.15  -0.28     0.01  -0.00  -0.00
    25   1     0.00   0.03   0.00     0.03   0.41   0.02     0.00   0.02   0.00
    26   1    -0.44  -0.45   0.57     0.02   0.02  -0.03     0.20   0.20  -0.26
                     61                     62                     63
                      A                      A                      A
 Frequencies --   3053.9508              3064.3009              3066.5072
 Red. masses --      1.0806                 1.0967                 1.0811
 Frc consts  --      5.9380                 6.0672                 5.9898
 IR Inten    --     83.1359                29.9896                32.1320
 RamAct Fr= 1--    188.2017                67.4905                51.6952
  Dep-P Fr= 1--      0.1617                 0.4283                 0.7214
  Dep-U Fr= 1--      0.2783                 0.5997                 0.8382
 Alpha2 Fr= 1--      2.8243                 0.4505                 0.0254
 Beta2  Fr= 1--      8.7298                 6.7457                 7.2216
 AlphaG Fr= 1--      0.2806                 0.1016                 0.0314
 Gamma2 Fr= 1--      4.8045                 8.8102               -20.5457
 Delta2 Fr= 1--      3.1129                16.8003               -11.2329
 Raman1 Fr= 1--     752.807                269.962                206.781
 ROA1   Fr= 1--     560.842               1383.390              -2331.837
 CID1   Fr= 1--       0.745                  5.124                -11.277
 Raman2 Fr= 1--     104.758                 80.948                 86.659
 ROA2   Fr= 1--      90.404                 77.042               -403.232
 CID2   Fr= 1--       0.863                  0.952                 -4.653
 Raman3 Fr= 1--     209.515                161.897                173.318
 ROA3   Fr= 1--     560.842               1383.390              -2331.837
 CID3   Fr= 1--       2.677                  8.545                -13.454
 RC180  Fr= 1--      -0.443                  0.199                  0.676
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.00   0.00  -0.01    -0.03   0.01  -0.04    -0.00   0.00   0.00
     2   6    -0.00   0.02   0.02    -0.02  -0.05   0.05     0.00   0.01  -0.01
     3   6     0.00  -0.00  -0.00    -0.00   0.00  -0.00     0.00  -0.00  -0.00
     4   6    -0.00   0.00   0.00     0.00  -0.00   0.00    -0.00   0.00   0.00
     5   6     0.00   0.00   0.00    -0.00  -0.01  -0.01    -0.01  -0.06  -0.04
     6   6    -0.00  -0.00   0.00     0.00   0.00   0.00    -0.00  -0.00   0.00
     7   6    -0.06   0.05   0.01     0.01  -0.01   0.00     0.00  -0.00  -0.00
     8   6    -0.00  -0.01   0.01     0.00   0.00  -0.00    -0.01  -0.02   0.02
     9   1     0.07  -0.01   0.09     0.33  -0.09   0.44     0.01  -0.00   0.01
    10   1    -0.05  -0.25   0.05     0.11   0.55  -0.08    -0.01  -0.07   0.01
    11   1     0.06   0.05  -0.34     0.10   0.06  -0.54    -0.02  -0.01   0.11
    12   1     0.00  -0.00  -0.00    -0.01  -0.00  -0.01     0.01   0.00   0.01
    13   1    -0.00  -0.00  -0.00     0.00   0.00   0.00    -0.01  -0.02  -0.01
    14   1    -0.01  -0.02  -0.01     0.02   0.10   0.08     0.12   0.69   0.52
    15   6    -0.00  -0.00   0.00    -0.00  -0.01  -0.00     0.00   0.00   0.00
    16   6    -0.00  -0.00  -0.00    -0.00   0.00   0.00    -0.00   0.01  -0.00
    17   1     0.65  -0.55  -0.10    -0.08   0.07   0.01    -0.04   0.03   0.01
    18   1    -0.10  -0.00  -0.07     0.02   0.00   0.01    -0.18  -0.01  -0.14
    19   1     0.12   0.08  -0.06    -0.04  -0.03   0.02     0.30   0.20  -0.15
    20   1    -0.01  -0.00  -0.00     0.03   0.01   0.01    -0.02  -0.00  -0.01
    21   1     0.01   0.05   0.00     0.01   0.07   0.00     0.00   0.01   0.00
    22   1     0.03  -0.02  -0.03    -0.01   0.00   0.01     0.01  -0.00  -0.01
    23   1     0.01  -0.01   0.03     0.00  -0.00   0.00     0.01  -0.01   0.03
    24   1     0.01  -0.00  -0.01     0.02  -0.01  -0.02     0.03  -0.01  -0.03
    25   1     0.01   0.06   0.00    -0.00  -0.03  -0.00    -0.00  -0.06  -0.00
    26   1    -0.04  -0.04   0.04     0.00   0.01  -0.02     0.00   0.01  -0.01
                     64                     65                     66
                      A                      A                      A
 Frequencies --   3073.9905              3075.0121              3080.2467
 Red. masses --      1.0994                 1.0747                 1.1001
 Frc consts  --      6.1206                 5.9872                 6.1497
 IR Inten    --      1.0410                24.0052                55.3971
 RamAct Fr= 1--     31.5489               247.7344               125.2441
  Dep-P Fr= 1--      0.1409                 0.0179                 0.7328
  Dep-U Fr= 1--      0.2470                 0.0352                 0.8458
 Alpha2 Fr= 1--      0.4991                 5.2789                 0.0368
 Beta2  Fr= 1--      1.2988                 1.4551                17.6552
 AlphaG Fr= 1--      0.3938                 0.5641                 0.2289
 Gamma2 Fr= 1--      6.2010                 1.6669                 1.5851
 Delta2 Fr= 1--      1.9875                 3.4107                -1.0988
 Raman1 Fr= 1--     126.196                990.937                500.976
 ROA1   Fr= 1--     658.894                269.159                117.010
 CID1   Fr= 1--       5.221                  0.272                  0.234
 Raman2 Fr= 1--      15.585                 17.461                211.862
 ROA2   Fr= 1--     132.923                 12.719                 46.833
 CID2   Fr= 1--       8.529                  0.728                  0.221
 Raman3 Fr= 1--      31.170                 34.921                423.725
 ROA3   Fr= 1--     658.894                269.159                117.010
 CID3   Fr= 1--      21.139                  7.708                  0.276
 RC180  Fr= 1--      -0.506                 -0.930                  0.692
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.01  -0.00   0.01    -0.01  -0.00  -0.01     0.00  -0.00   0.01
     2   6     0.00   0.00   0.00     0.00  -0.00  -0.01    -0.00  -0.00   0.01
     3   6     0.00  -0.00   0.00    -0.00   0.00  -0.00     0.00  -0.00   0.00
     4   6    -0.00   0.00  -0.00     0.00  -0.00  -0.00    -0.00   0.00   0.00
     5   6    -0.00  -0.00  -0.00     0.00   0.03   0.02    -0.00  -0.01  -0.00
     6   6    -0.00  -0.00   0.00     0.00   0.00  -0.00     0.00  -0.00  -0.00
     7   6    -0.00   0.00   0.00     0.01  -0.01  -0.00     0.00  -0.00  -0.00
     8   6     0.01   0.01  -0.01    -0.03  -0.03   0.04     0.00   0.00  -0.00
     9   1    -0.07   0.02  -0.09     0.09  -0.02   0.12    -0.08   0.02  -0.10
    10   1    -0.01  -0.03   0.00     0.01   0.05  -0.01     0.01   0.03  -0.00
    11   1     0.00   0.00  -0.01    -0.01  -0.01   0.08     0.01   0.01  -0.06
    12   1     0.01   0.00   0.00    -0.01  -0.00  -0.01     0.00   0.00   0.00
    13   1    -0.00  -0.01  -0.00     0.01   0.02   0.01    -0.00  -0.01  -0.00
    14   1     0.01   0.04   0.03    -0.06  -0.34  -0.26     0.01   0.06   0.05
    15   6     0.02  -0.06  -0.03     0.01  -0.02  -0.01     0.02  -0.05  -0.02
    16   6    -0.02   0.05   0.03    -0.00   0.01  -0.00     0.02  -0.06  -0.03
    17   1     0.05  -0.05  -0.01    -0.11   0.09   0.02    -0.01   0.01   0.00
    18   1     0.06   0.00   0.05    -0.25  -0.01  -0.19    -0.00   0.00  -0.00
    19   1    -0.15  -0.10   0.07     0.58   0.40  -0.29    -0.02  -0.01   0.01
    20   1    -0.01  -0.02  -0.01     0.00  -0.00  -0.00    -0.00  -0.01  -0.01
    21   1     0.08   0.53   0.03     0.02   0.14   0.01     0.07   0.49   0.02
    22   1    -0.31   0.16   0.29    -0.12   0.06   0.11    -0.28   0.15   0.27
    23   1    -0.01   0.03  -0.02     0.01  -0.02   0.05     0.01  -0.03   0.03
    24   1     0.32  -0.16  -0.30     0.01  -0.00  -0.01    -0.35   0.17   0.33
    25   1    -0.05  -0.45  -0.02    -0.01  -0.13  -0.01     0.06   0.53   0.02
    26   1     0.00   0.00  -0.00     0.02   0.03  -0.04     0.03   0.02  -0.03
                     67                     68                     69
                      A                      A                      A
 Frequencies --   3082.0770              3106.8518              3124.0599
 Red. masses --      1.0982                 1.0993                 1.0949
 Frc consts  --      6.1464                 6.2516                 6.2962
 IR Inten    --     40.9448                30.7331                20.9817
 RamAct Fr= 1--     87.8742                25.9095                42.7475
  Dep-P Fr= 1--      0.7226                 0.6807                 0.5160
  Dep-U Fr= 1--      0.8390                 0.8100                 0.6807
 Alpha2 Fr= 1--      0.0414                 0.0317                 0.1955
 Beta2  Fr= 1--     12.2872                 3.4978                 4.8499
 AlphaG Fr= 1--      0.2772                 0.0261                 0.0194
 Gamma2 Fr= 1--    -13.5701                 5.2596                -5.7992
 Delta2 Fr= 1--    -23.0784                 5.9533                -0.4730
 Raman1 Fr= 1--     351.497                103.638                170.990
 ROA1   Fr= 1--   -2041.239                695.431               -571.858
 CID1   Fr= 1--      -5.807                  6.710                 -3.344
 Raman2 Fr= 1--     147.446                 41.974                 58.199
 ROA2   Fr= 1--    -141.056                 78.605               -135.396
 CID2   Fr= 1--      -0.957                  1.873                 -2.326
 Raman3 Fr= 1--     294.892                 83.947                116.398
 ROA3   Fr= 1--   -2041.239                695.431               -571.858
 CID3   Fr= 1--      -6.922                  8.284                 -4.913
 RC180  Fr= 1--       0.678                  0.620                  0.361
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.02   0.02  -0.07    -0.00   0.00  -0.00     0.00   0.00  -0.00
     2   6     0.01   0.03  -0.04     0.00   0.00  -0.00     0.00   0.00  -0.01
     3   6    -0.00   0.00  -0.00    -0.00   0.00  -0.00    -0.00  -0.00   0.00
     4   6     0.00  -0.00   0.00     0.00  -0.00   0.00    -0.00   0.00   0.00
     5   6     0.00  -0.00  -0.00     0.00   0.00   0.00     0.00   0.00  -0.00
     6   6    -0.00  -0.00  -0.00     0.00   0.00  -0.00    -0.00  -0.00   0.00
     7   6    -0.00   0.00  -0.00     0.00  -0.00   0.00     0.00   0.00  -0.00
     8   6     0.00   0.01  -0.01     0.03   0.01   0.01     0.00   0.00   0.00
     9   1     0.44  -0.11   0.58     0.01  -0.00   0.02     0.00  -0.00   0.00
    10   1    -0.06  -0.27   0.04    -0.00  -0.01   0.00    -0.00  -0.02   0.00
    11   1    -0.08  -0.05   0.44    -0.00  -0.00   0.02    -0.01  -0.01   0.06
    12   1    -0.02  -0.00  -0.01    -0.00  -0.00  -0.00     0.01   0.00   0.00
    13   1     0.00   0.01   0.01     0.00   0.00   0.00    -0.00  -0.01  -0.00
    14   1     0.00   0.01   0.00    -0.00  -0.01  -0.01    -0.00   0.00   0.00
    15   6     0.01  -0.01  -0.00    -0.00   0.00  -0.00    -0.08  -0.02  -0.02
    16   6     0.00  -0.01   0.00     0.00   0.04  -0.07     0.00  -0.00   0.00
    17   1     0.01  -0.01  -0.00    -0.00   0.00   0.00    -0.00  -0.00   0.00
    18   1     0.08   0.00   0.06    -0.18  -0.00  -0.15    -0.03  -0.00  -0.03
    19   1    -0.11  -0.07   0.05    -0.16  -0.11   0.09    -0.00  -0.00   0.00
    20   1    -0.03  -0.01  -0.01     0.03   0.00   0.01     0.87   0.16   0.34
    21   1     0.02   0.09   0.00    -0.00  -0.01   0.00     0.01   0.20   0.01
    22   1    -0.07   0.04   0.07     0.00  -0.00  -0.00     0.13  -0.09  -0.15
    23   1    -0.01   0.01  -0.04     0.17  -0.34   0.79    -0.01   0.01  -0.03
    24   1    -0.03   0.01   0.03    -0.16   0.09   0.13     0.01  -0.01  -0.01
    25   1     0.01   0.07   0.00    -0.02  -0.27  -0.03     0.00   0.01   0.00
    26   1    -0.18  -0.17   0.20    -0.01  -0.01   0.02    -0.01  -0.01   0.01
                     70                     71                     72
                      A                      A                      A
 Frequencies --   3130.9059              3132.5168              3208.6358
 Red. masses --      1.0594                 1.0991                 1.1156
 Frc consts  --      6.1187                 6.3542                 6.7668
 IR Inten    --     13.5339                35.1908                14.7400
 RamAct Fr= 1--    126.7613               130.5337                84.1028
  Dep-P Fr= 1--      0.0885                 0.3957                 0.7494
  Dep-U Fr= 1--      0.1627                 0.5670                 0.8567
 Alpha2 Fr= 1--      2.2823                 0.9818                 0.0009
 Beta2  Fr= 1--      3.4370                12.3361                12.0091
 AlphaG Fr= 1--      0.0441                 0.0963                 0.0207
 Gamma2 Fr= 1--      6.8092                -8.3402                 1.9378
 Delta2 Fr= 1--      2.4202                -6.7452                 4.3488
 Raman1 Fr= 1--     507.045                522.135                336.411
 ROA1   Fr= 1--     731.131              -1016.509                325.190
 CID1   Fr= 1--       1.442                 -1.947                  0.967
 Raman2 Fr= 1--      41.244                148.033                144.109
 ROA2   Fr= 1--     144.060               -146.204                 11.717
 CID2   Fr= 1--       3.493                 -0.988                  0.081
 Raman3 Fr= 1--      82.489                296.066                288.219
 ROA3   Fr= 1--     731.131              -1016.509                325.190
 CID3   Fr= 1--       8.863                 -3.433                  1.128
 RC180  Fr= 1--      -0.675                  0.134                  0.713
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.00  -0.00  -0.00     0.00  -0.00   0.00     0.00   0.00  -0.00
     2   6     0.00   0.00  -0.00     0.00   0.00   0.00    -0.00  -0.00   0.00
     3   6     0.00  -0.01  -0.00    -0.00   0.00   0.00    -0.00  -0.00  -0.00
     4   6    -0.04   0.05  -0.00     0.00  -0.00   0.00    -0.06  -0.05  -0.05
     5   6     0.00   0.00   0.00    -0.00  -0.00  -0.00     0.00  -0.00  -0.00
     6   6    -0.00   0.00  -0.00    -0.00   0.00  -0.00     0.00   0.00  -0.00
     7   6    -0.00  -0.00  -0.00    -0.00   0.00   0.00     0.00  -0.00  -0.00
     8   6    -0.01  -0.00  -0.00    -0.08  -0.02  -0.03    -0.00  -0.00   0.00
     9   1     0.02  -0.00   0.03    -0.01   0.00  -0.01     0.01   0.00   0.01
    10   1    -0.00   0.00   0.00    -0.00  -0.00   0.00     0.00  -0.00  -0.00
    11   1    -0.00  -0.00   0.00     0.00   0.00  -0.01     0.00   0.00  -0.00
    12   1     0.64   0.03   0.34    -0.07  -0.00  -0.03     0.60   0.01   0.31
    13   1    -0.18  -0.57  -0.32     0.02   0.06   0.03     0.17   0.62   0.34
    14   1    -0.00  -0.02  -0.02     0.01   0.05   0.03     0.00   0.01   0.01
    15   6     0.00   0.00   0.00    -0.00  -0.00  -0.00     0.00  -0.00  -0.00
    16   6    -0.00   0.00  -0.00    -0.00   0.01  -0.02     0.00  -0.00  -0.00
    17   1     0.00  -0.00  -0.00     0.04  -0.03  -0.01    -0.00   0.00   0.00
    18   1     0.06   0.00   0.05     0.67   0.02   0.55     0.00   0.00   0.00
    19   1     0.03   0.02  -0.02     0.26   0.19  -0.15     0.00   0.00  -0.00
    20   1    -0.01  -0.00  -0.00     0.05   0.01   0.02    -0.00  -0.00   0.00
    21   1    -0.00  -0.00  -0.00     0.00   0.01   0.00     0.00   0.00   0.00
    22   1    -0.00   0.00   0.00     0.01  -0.01  -0.01    -0.00   0.00   0.00
    23   1     0.01  -0.01   0.03     0.05  -0.11   0.26     0.00  -0.00   0.00
    24   1    -0.01   0.00   0.00    -0.04   0.02   0.03    -0.00   0.00   0.00
    25   1    -0.00  -0.01  -0.00    -0.01  -0.06  -0.01     0.00   0.00   0.00
    26   1     0.01   0.01  -0.01     0.01   0.01  -0.01    -0.00  -0.00   0.00

 -------------------
 - Thermochemistry -
 -------------------
 Temperature   298.150 Kelvin.  Pressure   1.00000 Atm.
 Atom     1 has atomic number  6 and mass  12.00000
 Atom     2 has atomic number  6 and mass  12.00000
 Atom     3 has atomic number  6 and mass  12.00000
 Atom     4 has atomic number  6 and mass  12.00000
 Atom     5 has atomic number  6 and mass  12.00000
 Atom     6 has atomic number  6 and mass  12.00000
 Atom     7 has atomic number  6 and mass  12.00000
 Atom     8 has atomic number  6 and mass  12.00000
 Atom     9 has atomic number  1 and mass   1.00783
 Atom    10 has atomic number  1 and mass   1.00783
 Atom    11 has atomic number  1 and mass   1.00783
 Atom    12 has atomic number  1 and mass   1.00783
 Atom    13 has atomic number  1 and mass   1.00783
 Atom    14 has atomic number  1 and mass   1.00783
 Atom    15 has atomic number  6 and mass  12.00000
 Atom    16 has atomic number  6 and mass  12.00000
 Atom    17 has atomic number  1 and mass   1.00783
 Atom    18 has atomic number  1 and mass   1.00783
 Atom    19 has atomic number  1 and mass   1.00783
 Atom    20 has atomic number  1 and mass   1.00783
 Atom    21 has atomic number  1 and mass   1.00783
 Atom    22 has atomic number  1 and mass   1.00783
 Atom    23 has atomic number  1 and mass   1.00783
 Atom    24 has atomic number  1 and mass   1.00783
 Atom    25 has atomic number  1 and mass   1.00783
 Atom    26 has atomic number  1 and mass   1.00783
 Molecular mass:   136.12520 amu.
 Principal axes and moments of inertia in atomic units:
                           1         2         3
     Eigenvalues --   944.331911390.196371562.83469
           X            0.99966   0.02350   0.01099
           Y           -0.02339   0.99967  -0.01059
           Z           -0.01124   0.01033   0.99988
 This molecule is an asymmetric top.
 Rotational symmetry number  1.
 Warning -- assumption of classical behavior for rotation
           may cause significant error
 Rotational temperatures (Kelvin)      0.09172     0.06230     0.05542
 Rotational constants (GHZ):           1.91113     1.29819     1.15479
 Zero-point vibrational energy     619879.3 (Joules/Mol)
                                  148.15471 (Kcal/Mol)
 Warning -- explicit consideration of  14 degrees of freedom as
           vibrations may cause significant error
 Vibrational temperatures:    153.82   239.68   274.86   303.57   332.68
          (Kelvin)            428.44   516.70   554.20   567.20   604.34
                              656.32   691.04   768.41   886.30   934.66
                             1056.77  1118.88  1150.33  1199.73  1243.57
                             1284.47  1308.85  1322.86  1354.07  1376.84
                             1396.23  1428.03  1456.48  1486.20  1534.58
                             1554.54  1587.02  1629.07  1685.62  1747.80
                             1763.37  1772.08  1791.24  1819.60  1854.42
                             1860.89  1895.74  1909.30  1942.24  1976.69
                             2022.22  2048.38  2096.03  2127.04  2136.81
                             2139.47  2161.93  2165.66  2180.44  2191.93
                             2462.21  4350.53  4355.45  4358.81  4370.92
                             4393.95  4408.85  4412.02  4422.79  4424.26
                             4431.79  4434.42  4470.07  4494.83  4504.68
                             4506.99  4616.51
 
 Zero-point correction=                           0.236100 (Hartree/Particle)
 Thermal correction to Energy=                    0.245687
 Thermal correction to Enthalpy=                  0.246631
 Thermal correction to Gibbs Free Energy=         0.202543
 Sum of electronic and zero-point Energies=           -390.609186
 Sum of electronic and thermal Energies=              -390.599599
 Sum of electronic and thermal Enthalpies=            -390.598655
 Sum of electronic and thermal Free Energies=         -390.642743
 
                     E (Thermal)             CV                S
                      KCal/Mol        Cal/Mol-Kelvin    Cal/Mol-Kelvin
 Total                  154.171             39.692             92.792
 Electronic               0.000              0.000              0.000
 Translational            0.889              2.981             40.637
 Rotational               0.889              2.981             29.108
 Vibrational            152.394             33.730             23.047
 Vibration     1          0.606              1.944              3.324
 Vibration     2          0.624              1.884              2.474
 Vibration     3          0.634              1.852              2.218
 Vibration     4          0.643              1.824              2.035
 Vibration     5          0.653              1.793              1.869
 Vibration     6          0.691              1.678              1.429
 Vibration     7          0.734              1.556              1.126
 Vibration     8          0.754              1.502              1.019
 Vibration     9          0.761              1.483              0.984
 Vibration    10          0.783              1.427              0.892
 Vibration    11          0.814              1.347              0.777
 Vibration    12          0.837              1.294              0.709
 Vibration    13          0.889              1.175              0.578
 Vibration    14          0.976              0.998              0.423
                       Q            Log10(Q)             Ln(Q)
 Total Bot       0.686932D-93        -93.163087       -214.515934
 Total V=0       0.272318D+16         15.435076         35.540576
 Vib (Bot)       0.214610-106       -106.668351       -245.612954
 Vib (Bot)    1  0.191691D+01          0.282602          0.650715
 Vib (Bot)    2  0.121108D+01          0.083172          0.191510
 Vib (Bot)    3  0.104727D+01          0.020059          0.046187
 Vib (Bot)    4  0.940963D+00         -0.026427         -0.060851
 Vib (Bot)    5  0.851348D+00         -0.069893         -0.160934
 Vib (Bot)    6  0.639440D+00         -0.194200         -0.447163
 Vib (Bot)    7  0.510674D+00         -0.291857         -0.672024
 Vib (Bot)    8  0.467690D+00         -0.330042         -0.759950
 Vib (Bot)    9  0.454024D+00         -0.342921         -0.789605
 Vib (Bot)   10  0.418024D+00         -0.378799         -0.872216
 Vib (Bot)   11  0.374048D+00         -0.427073         -0.983372
 Vib (Bot)   12  0.348128D+00         -0.458261         -1.055184
 Vib (Bot)   13  0.298314D+00         -0.525326         -1.209608
 Vib (Bot)   14  0.238398D+00         -0.622697         -1.433813
 Vib (V=0)       0.850770D+02          1.929812          4.443556
 Vib (V=0)    1  0.248105D+01          0.394635          0.908681
 Vib (V=0)    2  0.181023D+01          0.257734          0.593455
 Vib (V=0)    3  0.166051D+01          0.220241          0.507123
 Vib (V=0)    4  0.156556D+01          0.194669          0.448242
 Vib (V=0)    5  0.148732D+01          0.172403          0.396973
 Vib (V=0)    6  0.131172D+01          0.117840          0.271336
 Vib (V=0)    7  0.121469D+01          0.084467          0.194492
 Vib (V=0)    8  0.118464D+01          0.073587          0.169440
 Vib (V=0)    9  0.117538D+01          0.070178          0.161591
 Vib (V=0)   10  0.115172D+01          0.061348          0.141260
 Vib (V=0)   11  0.112443D+01          0.050932          0.117275
 Vib (V=0)   12  0.110926D+01          0.045032          0.103690
 Vib (V=0)   13  0.108223D+01          0.034319          0.079023
 Vib (V=0)   14  0.105393D+01          0.022810          0.052522
 Electronic      0.100000D+01          0.000000          0.000000
 Translational   0.624254D+08          7.795362         17.949484
 Rotational      0.512746D+06          5.709903         13.147536
 ***** Axes restored to original set *****
 -------------------------------------------------------------------
 Center     Atomic                   Forces (Hartrees/Bohr)
 Number     Number              X              Y              Z
 -------------------------------------------------------------------
      1        6           0.000025159    0.000017921   -0.000012380
      2        6          -0.000023889   -0.000003420    0.000008741
      3        6          -0.000037515   -0.000049987    0.000003120
      4        6          -0.000004542    0.000002315   -0.000002472
      5        6           0.000012908   -0.000005662   -0.000013853
      6        6          -0.000024859   -0.000004144    0.000036309
      7        6           0.000031491   -0.000012247    0.000008470
      8        6          -0.000013169    0.000046462    0.000004426
      9        1           0.000002231    0.000002004    0.000003128
     10        1          -0.000000709   -0.000001605   -0.000001808
     11        1          -0.000000548    0.000006995   -0.000004807
     12        1           0.000000252    0.000000639   -0.000000238
     13        1           0.000003325   -0.000001877   -0.000000345
     14        1           0.000001029   -0.000001614   -0.000001692
     15        6          -0.000009989    0.000001984   -0.000007870
     16        6           0.000018141    0.000005119    0.000012653
     17        1           0.000002319    0.000002369    0.000000515
     18        1           0.000004113   -0.000005354   -0.000003459
     19        1           0.000003146    0.000000172    0.000000214
     20        1           0.000015423    0.000002963   -0.000003497
     21        1           0.000002986    0.000000913   -0.000006207
     22        1           0.000001583   -0.000001355   -0.000000782
     23        1           0.000005142   -0.000005839   -0.000003317
     24        1          -0.000004325    0.000001776   -0.000003870
     25        1          -0.000004694    0.000001216   -0.000004207
     26        1          -0.000005010    0.000000254   -0.000006772
 -------------------------------------------------------------------
 Cartesian Forces:  Max     0.000049987 RMS     0.000012927
 End of FrcOut F.D. properties on file   721 Mask=       B NFrqRd=     1 NDeriv=     1 ND12= 1 LenFil=      39:
 Frequencies=    0.093368
 Property number 1 -- Alpha(-w,w) frequency  1    0.093368:
                 1             2             3 
      1   0.126162D+03 -0.786811D+01  0.213566D+00
      2  -0.786811D+01  0.118265D+03  0.107159D+01
      3   0.213566D+00  0.107159D+01  0.102976D+03
 Property number 2 -- FD Optical Rotation Tensor frequency  1    0.093368:
                 1             2             3 
      1   0.398659D+01 -0.356787D+01  0.245717D+01
      2   0.705218D+01  0.221055D+01 -0.724309D+01
      3   0.108937D+02 -0.988998D+01 -0.621501D+01
 Property number 4 -- D-Q polarizability frequency  1    0.093368:
                 1             2             3 
      1   0.130255D+02 -0.311635D+02  0.378949D+01
      2   0.194692D+02 -0.827464D+01 -0.832366D+01
      3  -0.324948D+02  0.394382D+02  0.453417D+01
      4  -0.737167D+02  0.589753D+02  0.129794D+02
      5   0.575483D+01  0.189049D+02 -0.210465D+02
      6   0.973579D+01 -0.398885D+01 -0.959593D-01
 End of FrcOut F.D. properties on file   722 Mask=       B NFrqRd=     1 NDeriv=    78 ND12= 1 LenFil=    2811:
 Frequencies=    0.093368
 Property number 1 -- Alpha(-w,w) derivatives, frequency  1    0.093368:
                 1             2             3             4             5 
      1  -0.140806D+01 -0.200203D+01 -0.165374D+01 -0.955771D+00  0.123722D+01
      2  -0.200203D+01 -0.159581D+01  0.114424D+01  0.123722D+01 -0.370763D+01
      3  -0.165374D+01  0.114424D+01 -0.261687D+01  0.180562D+01  0.115696D+01
                 6             7             8             9            10 
      1   0.180562D+01 -0.313644D+01  0.203541D+01 -0.324032D+01 -0.449321D-02
      2   0.115696D+01  0.203541D+01  0.254440D+01 -0.108758D+01  0.229495D+01
      3  -0.713198D-01 -0.324032D+01 -0.108758D+01 -0.700057D+00  0.168573D+01
                11            12            13            14            15 
      1   0.229495D+01  0.168573D+01  0.194342D+01 -0.293654D+01 -0.122372D+00
      2  -0.312386D+01 -0.575124D-01 -0.293654D+01 -0.602589D+01  0.730980D+00
      3  -0.575124D-01  0.188906D+01 -0.122372D+00  0.730980D+00  0.901765D+00
                16            17            18            19            20 
      1   0.217041D+01  0.768317D-01  0.187574D+01 -0.129004D+02  0.948932D+01
      2   0.768317D-01  0.136308D+01 -0.122088D+00  0.948932D+01 -0.774703D+01
      3   0.187574D+01 -0.122088D+00 -0.529276D+01  0.302130D+01 -0.688745D+00
                21            22            23            24            25 
      1   0.302130D+01  0.860999D+01 -0.806265D+01 -0.129022D+01  0.403353D+00
      2  -0.688745D+00 -0.806265D+01  0.108463D+02 -0.192863D+01  0.266217D+00
      3  -0.137522D+01 -0.129022D+01 -0.192863D+01  0.210977D+01 -0.106352D+01
                26            27            28            29            30 
      1   0.266217D+00 -0.106352D+01  0.727478D+01 -0.688215D+01 -0.541200D+01
      2  -0.186994D+01  0.132710D+01 -0.688215D+01  0.749679D+01  0.254191D+01
      3   0.132710D+01 -0.431479D-01 -0.541200D+01  0.254191D+01  0.216405D+01
                31            32            33            34            35 
      1  -0.918898D+01  0.869407D+01  0.436669D+00 -0.656455D+01  0.136023D+01
      2   0.869407D+01 -0.927951D+01  0.373308D+01  0.136023D+01  0.502881D+01
      3   0.436669D+00  0.373308D+01 -0.210362D+01  0.371745D+01 -0.357737D+01
                36            37            38            39            40 
      1   0.371745D+01  0.113276D+02 -0.549643D+01 -0.379523D+01 -0.197915D+01
      2  -0.357737D+01 -0.549643D+01  0.326918D+01 -0.396443D+00  0.257264D+01
      3  -0.785515D+00 -0.379523D+01 -0.396443D+00  0.229767D+01 -0.989438D+00
                41            42            43            44            45 
      1   0.257264D+01 -0.989438D+00 -0.659373D+01  0.269602D+00  0.296667D+01
      2   0.672021D+00  0.510592D+01  0.269602D+00  0.492031D+01  0.837089D+00
      3   0.510592D+01  0.881065D+00  0.296667D+01  0.837089D+00 -0.113863D+01
                46            47            48            49            50 
      1  -0.402386D+01  0.293653D+01  0.552372D+01  0.391422D+01 -0.440833D+01
      2   0.293653D+01 -0.247455D+01  0.630692D-01 -0.440833D+01 -0.660088D+01
      3   0.552372D+01  0.630692D-01 -0.215649D+01 -0.238582D+00 -0.245610D+00
                51            52            53            54            55 
      1  -0.238582D+00  0.103505D+02 -0.168696D+01 -0.258376D+01  0.151961D+01
      2  -0.245610D+00 -0.168696D+01  0.649610D+00  0.219591D+01 -0.298857D+01
      3   0.170826D+01 -0.258376D+01  0.219591D+01 -0.884219D+00 -0.233729D+01
                56            57            58            59            60 
      1  -0.298857D+01 -0.233729D+01 -0.314249D+01  0.547050D+01  0.816525D-01
      2   0.524149D+01 -0.165642D+00  0.547050D+01  0.365013D+01 -0.217915D+01
      3  -0.165642D+00 -0.134070D+01  0.816525D-01 -0.217915D+01  0.136411D+01
                61            62            63            64            65 
      1  -0.226962D+01 -0.566167D+00 -0.155347D+01 -0.979065D-01 -0.876341D+00
      2  -0.566167D+00 -0.268151D+01  0.553243D+00 -0.876341D+00 -0.369156D+01
      3  -0.155347D+01  0.553243D+00  0.463268D+01  0.386826D+01  0.242535D+01
                66            67            68            69            70 
      1   0.386826D+01  0.553781D+00 -0.403669D+01  0.303506D+01  0.361628D+01
      2   0.242535D+01 -0.403669D+01  0.380016D+01 -0.133491D+01  0.169992D+01
      3   0.180718D+01  0.303506D+01 -0.133491D+01 -0.258290D+01  0.141276D+01
                71            72            73            74            75 
      1   0.169992D+01  0.141276D+01  0.426357D+01  0.554660D+00  0.251259D+01
      2  -0.254212D+00 -0.206452D+01  0.554660D+00  0.126226D+01  0.398289D+00
      3  -0.206452D+01 -0.151110D+01  0.251259D+01  0.398289D+00  0.237852D+01
                76            77            78            79            80 
      1  -0.669149D+00  0.682347D+00 -0.512070D+00  0.367301D+01  0.215887D+00
      2   0.682347D+00 -0.508337D-01  0.529158D+00  0.215887D+00  0.673555D+00
      3  -0.512070D+00  0.529158D+00 -0.263075D+00  0.308064D+01  0.786218D+00
                81            82            83            84            85 
      1   0.308064D+01  0.904159D+00  0.141852D+01 -0.111591D+00  0.151927D+01
      2   0.786218D+00  0.141852D+01  0.176660D+01  0.199464D+00  0.193308D+01
      3   0.416491D+01 -0.111591D+00  0.199464D+00 -0.732005D-01  0.240744D+00
                86            87            88            89            90 
      1   0.193308D+01  0.240744D+00 -0.631223D+00 -0.190990D+00 -0.310049D-01
      2   0.114364D+02  0.753640D+00 -0.190990D+00 -0.122266D+01  0.111890D+01
      3   0.753640D+00  0.104255D+01 -0.310049D-01  0.111890D+01  0.422693D+00
                91            92            93            94            95 
      1  -0.796423D+00 -0.123137D+00  0.938448D+00 -0.392995D+00  0.132853D-01
      2  -0.123137D+00  0.177498D-01 -0.280910D+00  0.132853D-01  0.658962D+00
      3   0.938448D+00 -0.280910D+00 -0.122347D+01  0.153841D-01  0.893404D+00
                96            97            98            99           100 
      1   0.153841D-01  0.131918D+01 -0.434584D-01 -0.895098D+00  0.904190D+01
      2   0.893404D+00 -0.434584D-01  0.159556D+01  0.171705D+01 -0.237390D+01
      3  -0.169594D+00 -0.895098D+00  0.171705D+01  0.831091D+01  0.282692D+01
               101           102           103           104           105 
      1  -0.237390D+01  0.282692D+01 -0.635994D+00  0.145324D+01  0.457517D+00
      2   0.185122D+01 -0.837107D+00  0.145324D+01 -0.149613D+01 -0.271999D+00
      3  -0.837107D+00  0.151905D+01  0.457517D+00 -0.271999D+00  0.353240D-01
               106           107           108           109           110 
      1   0.517622D+01 -0.858844D+00  0.130453D+01  0.937502D+00 -0.116833D+01
      2  -0.858844D+00 -0.360094D-01  0.369262D-01 -0.116833D+01 -0.792490D+00
      3   0.130453D+01  0.369262D-01  0.113483D+01  0.196028D+00 -0.106743D+01
               111           112           113           114           115 
      1   0.196028D+00 -0.159691D+01  0.139795D+01  0.445982D+00  0.617673D-01
      2  -0.106743D+01  0.139795D+01 -0.806604D+01 -0.298065D+01 -0.785150D-01
      3  -0.585444D+00  0.445982D+00 -0.298065D+01 -0.185065D+01 -0.291720D+00
               116           117           118           119           120 
      1  -0.785150D-01 -0.291720D+00 -0.522634D+00 -0.964195D+00 -0.456969D+00
      2  -0.408993D+01 -0.145368D+01 -0.964195D+00 -0.685743D+00 -0.339301D+00
      3  -0.145368D+01 -0.133357D+01 -0.456969D+00 -0.339301D+00 -0.666068D+00
               121           122           123           124           125 
      1  -0.166800D+01 -0.494640D+00 -0.431460D+00 -0.285690D-01 -0.437493D+00
      2  -0.494640D+00 -0.517435D+01 -0.319255D+01 -0.437493D+00 -0.253863D+01
      3  -0.431460D+00 -0.319255D+01 -0.282021D+01 -0.554200D+00 -0.252943D+01
               126           127           128           129           130 
      1  -0.554200D+00 -0.237809D+01 -0.153755D+01 -0.434783D+01 -0.177200D+01
      2  -0.252943D+01 -0.153755D+01  0.124551D+01  0.210096D+00  0.201240D+01
      3  -0.351183D+01 -0.434783D+01  0.210096D+00  0.210397D+01  0.629251D+00
               131           132           133           134           135 
      1   0.201240D+01  0.629251D+00 -0.459173D+01  0.480948D+00  0.212408D+01
      2   0.640179D+01 -0.642343D+00  0.480948D+00  0.170473D+00 -0.254242D+01
      3  -0.642343D+00 -0.279362D+01  0.212408D+01 -0.254242D+01  0.133496D+00
               136           137           138           139           140 
      1  -0.416568D+00 -0.237699D+01 -0.392881D+01 -0.334072D+01  0.288308D+01
      2  -0.237699D+01  0.119534D+01  0.127392D+00  0.288308D+01  0.628028D+01
      3  -0.392881D+01  0.127392D+00  0.206298D+01  0.361058D+00  0.847797D+00
               141           142           143           144           145 
      1   0.361058D+00 -0.543531D+01  0.786428D+00  0.294735D+01 -0.587487D+01
      2   0.847797D+00  0.786428D+00  0.468186D+00 -0.255484D+01  0.398397D+01
      3  -0.277628D+01  0.294735D+01 -0.255484D+01  0.273729D+01  0.926442D+00
               146           147           148           149           150 
      1   0.398397D+01  0.926442D+00  0.315257D+01 -0.358627D+01 -0.219378D+00
      2  -0.430908D+01 -0.485594D+00 -0.358627D+01  0.506170D+01  0.896330D+00
      3  -0.485594D+00 -0.798748D+00 -0.219378D+00  0.896330D+00  0.798341D+00
               151           152           153           154           155 
      1   0.995094D+00 -0.341545D+00 -0.863743D+00 -0.402555D+01  0.102301D+01
      2  -0.341545D+00  0.109402D+01  0.118134D+01  0.102301D+01 -0.835005D+00
      3  -0.863743D+00  0.118134D+01  0.329321D+00 -0.335057D+01  0.468283D+00
               156           157           158           159           160 
      1  -0.335057D+01  0.101817D+00 -0.322722D+00 -0.126858D+00 -0.301134D+01
      2   0.468283D+00 -0.322722D+00  0.200056D+00 -0.850457D+00  0.378248D+00
      3  -0.377768D+01 -0.126858D+00 -0.850457D+00  0.504247D+00 -0.301549D+01
               161           162           163           164           165 
      1   0.378248D+00 -0.301549D+01  0.284340D+01  0.180807D+01 -0.231262D+01
      2  -0.111910D+01  0.120138D+01  0.180807D+01  0.264334D+01 -0.196994D+01
      3   0.120138D+01 -0.531627D+01 -0.231262D+01 -0.196994D+01  0.279911D+01
               166           167           168           169           170 
      1   0.118583D+01  0.186449D+01 -0.119920D+01 -0.136123D+01 -0.105049D+01
      2   0.186449D+01  0.282164D+01 -0.199246D+01 -0.105049D+01 -0.150600D+01
      3  -0.119920D+01 -0.199246D+01  0.243729D+01  0.126155D+01  0.210644D+01
               171           172           173           174           175 
      1   0.126155D+01  0.501656D+01  0.563914D+00  0.173755D+01  0.698102D+00
      2   0.210644D+01  0.563914D+00  0.891584D+00 -0.301168D+00  0.448570D+00
      3  -0.330943D+01  0.173755D+01 -0.301168D+00  0.262540D+01 -0.848076D-01
               176           177           178           179           180 
      1   0.448570D+00 -0.848076D-01  0.174420D+01 -0.189463D-01  0.132842D+01
      2  -0.341512D+00  0.329269D+00 -0.189463D-01  0.335458D+00  0.266718D+00
      3   0.329269D+00  0.595054D+00  0.132842D+01  0.266718D+00  0.207772D+01
               181           182           183           184           185 
      1  -0.419839D+00 -0.942725D+00  0.676748D+00 -0.141792D+01 -0.170462D+01
      2  -0.942725D+00 -0.922885D+00  0.162332D+00 -0.170462D+01 -0.841116D+01
      3   0.676748D+00  0.162332D+00 -0.564777D+00  0.394365D+00  0.206849D+01
               186           187           188           189           190 
      1   0.394365D+00  0.223139D+00 -0.101264D+00 -0.379440D+00 -0.364780D+01
      2   0.206849D+01 -0.101264D+00  0.556992D-02 -0.692167D+00  0.516423D+00
      3  -0.180074D+01 -0.379440D+00 -0.692167D+00  0.261727D+00  0.329901D+01
               191           192           193           194           195 
      1   0.516423D+00  0.329901D+01  0.149019D+01 -0.921719D+00 -0.113500D+01
      2  -0.109924D+01 -0.184642D+00 -0.921719D+00  0.289188D+00  0.970070D+00
      3  -0.184642D+00 -0.400446D+01 -0.113500D+01  0.970070D+00  0.225952D+01
               196           197           198           199           200 
      1   0.258633D+01 -0.255348D+00 -0.302925D+01 -0.125397D+01  0.837882D+00
      2  -0.255348D+00  0.727607D+00  0.755876D+00  0.837882D+00 -0.339387D+00
      3  -0.302925D+01  0.755876D+00  0.539666D+01 -0.120931D+01  0.291393D+00
               201           202           203           204           205 
      1  -0.120931D+01  0.178376D+01 -0.606435D+00  0.569429D+00 -0.259661D+01
      2   0.291393D+00 -0.606435D+00  0.374888D+00 -0.108031D+01  0.712131D-01
      3  -0.156910D+01  0.569429D+00 -0.108031D+01  0.169176D+01 -0.260862D+01
               206           207           208           209           210 
      1   0.712131D-01 -0.260862D+01 -0.699148D+01  0.102758D+01  0.258341D+01
      2  -0.134098D+01  0.130372D+01  0.102758D+01 -0.965510D+00 -0.430253D+00
      3   0.130372D+01 -0.558986D+01  0.258341D+01 -0.430253D+00 -0.181202D+01
               211           212           213           214           215 
      1   0.298868D+01 -0.159535D+01 -0.787261D+00  0.543356D+01 -0.513005D+00
      2  -0.159535D+01  0.365486D+00  0.569151D+00 -0.513005D+00  0.937269D+00
      3  -0.787261D+00  0.569151D+00  0.108264D+01 -0.264441D+01  0.705615D+00
               216           217           218           219           220 
      1  -0.264441D+01 -0.114809D+01 -0.104765D+01  0.209247D+00 -0.313171D+01
      2   0.705615D+00 -0.104765D+01 -0.929285D+00 -0.102988D+00 -0.345024D+01
      3   0.223309D+01  0.209247D+00 -0.102988D+00 -0.223057D+00 -0.479497D+00
               221           222           223           224           225 
      1  -0.345024D+01 -0.479497D+00  0.398215D+00 -0.229604D+00 -0.829349D+00
      2  -0.796636D+01 -0.711498D+00 -0.229604D+00 -0.466064D+00 -0.737571D+00
      3  -0.711498D+00 -0.105712D+01 -0.829349D+00 -0.737571D+00 -0.470295D+00
               226           227           228           229           230 
      1   0.278095D+01  0.232518D+01 -0.108945D+01  0.195018D+01  0.146330D+01
      2   0.232518D+01  0.263036D+01 -0.724150D+00  0.146330D+01  0.426131D+01
      3  -0.108945D+01 -0.724150D+00  0.114030D+01 -0.856603D+00 -0.117368D+01
               231           232           233           234 
      1  -0.856603D+00 -0.193086D+01 -0.126831D+01  0.156421D+01
      2  -0.117368D+01 -0.126831D+01 -0.338888D+01  0.126815D+01
      3   0.877428D+00  0.156421D+01  0.126815D+01 -0.194860D+01
 Property number 2 -- FD Optical Rotation Tensor derivatives, frequency  1    0.093368:
                 1             2             3             4             5 
      1   0.158624D+01 -0.142092D+01  0.303199D+01  0.706345D+00 -0.296460D+01
      2  -0.648277D+01  0.729624D+01 -0.434679D+01  0.587669D+01  0.464822D+01
      3   0.837019D+01 -0.774650D+01 -0.702163D+01 -0.225826D+01  0.523150D+01
                 6             7             8             9            10 
      1  -0.124441D+01  0.331584D+01  0.904553D+01  0.208511D+01 -0.175877D+01
      2  -0.401442D+00 -0.910724D+01 -0.592239D+01 -0.393261D+00  0.207766D+01
      3  -0.157459D+01 -0.950634D+01 -0.274379D+01 -0.251985D+01 -0.710101D+00
                11            12            13            14            15 
      1  -0.292621D+01 -0.395291D+01 -0.271173D+01 -0.101427D+02 -0.380396D+01
      2  -0.234756D+01  0.406511D+00 -0.310404D+01  0.212131D+01  0.426209D+00
      3   0.693690D+01  0.471102D+01  0.114791D+02 -0.474800D+01 -0.276284D+00
                16            17            18            19            20 
      1  -0.507705D+01  0.497028D+01  0.139147D+02 -0.254890D+01  0.171946D+01
      2  -0.487705D+01  0.776821D+00 -0.476596D+01  0.141187D+01  0.560907D+01
      3   0.609931D+01  0.548994D-01  0.311670D+01  0.323807D+01 -0.246696D+01
                21            22            23            24            25 
      1  -0.490839D+01 -0.435599D+00 -0.880523D+01  0.572232D+01 -0.874153D+01
      2  -0.353128D+01  0.344316D+01 -0.650700D+01  0.640276D+01 -0.137651D+02
      3  -0.357846D+01  0.121036D+02 -0.172433D+02  0.630761D+01  0.646380D+00
                26            27            28            29            30 
      1   0.140362D+02  0.182588D+01 -0.755153D+01 -0.716288D-01  0.432220D+01
      2   0.845184D+01 -0.234287D+01 -0.716961D+01  0.413987D+01  0.553420D+01
      3   0.327534D+01 -0.681302D+00  0.839790D+01 -0.126451D+02  0.304704D+01
                31            32            33            34            35 
      1  -0.406965D+01  0.107083D+02 -0.722216D+01  0.203395D+01 -0.104974D+01
      2  -0.295995D+01  0.142273D+02 -0.676833D+01 -0.469920D+00 -0.512487D+01
      3  -0.173580D+01  0.571515D+01 -0.107743D+02  0.866950D+01 -0.164337D+02
                36            37            38            39            40 
      1   0.325700D+01 -0.863614D+00 -0.139932D+01  0.229981D+01 -0.442406D+01
      2  -0.191797D+01  0.102422D+02 -0.661995D+01 -0.159279D+01 -0.297406D+01
      3   0.262908D+01 -0.207506D+01 -0.828396D+00  0.136650D+01  0.810210D+01
                41            42            43            44            45 
      1   0.736187D+01 -0.870938D+01  0.626422D+01 -0.398246D+01 -0.201733D+01
      2   0.353929D+01 -0.151780D+01 -0.149290D+02  0.406958D+01  0.375535D+01
      3  -0.439885D+01 -0.165648D+01  0.260642D+01  0.421593D+00 -0.216855D+01
                46            47            48            49            50 
      1   0.343468D+01 -0.299262D+00 -0.149409D+01 -0.170228D+01 -0.356370D+01
      2  -0.125258D+02  0.717389D+00  0.867327D+01  0.284210D+01 -0.865449D+00
      3   0.349809D+01 -0.969997D+01 -0.138221D+01 -0.788901D+00 -0.122044D+02
                51            52            53            54            55 
      1  -0.200420D+01 -0.339748D+01  0.774404D+01  0.390096D+00  0.327753D+01
      2  -0.352875D+01  0.270674D+01 -0.662860D+01  0.353686D+01  0.235491D+01
      3  -0.985801D+00 -0.475459D+01  0.569925D+00  0.674534D+01 -0.252536D+01
                56            57            58            59            60 
      1   0.143365D+01  0.490505D+01  0.220020D+01  0.404114D+01 -0.485334D+01
      2   0.241990D+01  0.419540D+01  0.142886D+01  0.167318D+01 -0.116286D+01
      3  -0.453731D+01 -0.396561D+01  0.308537D+01  0.125908D+02 -0.183356D+01
                61            62            63            64            65 
      1   0.324413D+01  0.202509D+01 -0.105758D+02 -0.133008D+01  0.359395D+01
      2  -0.166250D+01 -0.243546D+01 -0.561533D+01 -0.236417D+01 -0.559053D+01
      3  -0.504268D+01 -0.330362D+01 -0.313417D+01  0.589035D+00 -0.705467D+01
                66            67            68            69            70 
      1  -0.960636D+01  0.660557D+01 -0.798886D+01  0.375848D+01 -0.706914D+01
      2   0.111898D+02 -0.309512D+01 -0.702184D+01  0.851087D+01  0.408230D+01
      3   0.706208D+01 -0.129205D+01 -0.135513D+01  0.305592D+01  0.504991D+01
                71            72            73            74            75 
      1   0.710072D+01  0.845194D+01 -0.280764D+01  0.661646D+00 -0.280993D+01
      2   0.659010D+01  0.610134D+01  0.254281D+01  0.125128D+01  0.585845D+01
      3   0.184853D+01  0.156782D+01  0.367803D+01 -0.367992D+01  0.227003D+01
                76            77            78            79            80 
      1   0.284018D+00 -0.116802D+00 -0.120746D+00 -0.295007D+01  0.123186D+01
      2  -0.506634D+00  0.542658D+00 -0.722528D+00  0.273703D+01  0.188687D+01
      3  -0.334579D+00  0.208220D+01 -0.116544D+01  0.436875D+01 -0.246792D+01
                81            82            83            84            85 
      1  -0.427354D+01  0.161404D+01  0.175633D+01  0.540861D-01  0.110312D+01
      2   0.873780D+01 -0.961874D+00 -0.105785D+01  0.137324D+01 -0.162506D+01
      3   0.236072D+01  0.195769D+01  0.356083D+00 -0.620629D+00  0.552468D+01
                86            87            88            89            90 
      1   0.913203D+01 -0.467402D+01  0.145832D+00 -0.217978D+01  0.294484D+00
      2  -0.135442D+01  0.857059D+00 -0.747890D-01  0.461557D+00  0.131839D+00
      3  -0.275012D+01  0.386560D+00 -0.183959D+01  0.561561D+00 -0.586972D+00
                91            92            93            94            95 
      1  -0.237286D+01 -0.413169D+00  0.264232D+01 -0.594696D+00 -0.156445D+01
      2   0.140537D+01  0.425592D+00 -0.727950D+00  0.103914D+01  0.546620D+00
      3  -0.222936D+01 -0.207725D+01  0.175800D+01 -0.641006D+00  0.877502D+00
                96            97            98            99           100 
      1   0.125145D+01  0.236484D+01  0.169404D+01 -0.171010D+02  0.706058D+01
      2  -0.384905D+00 -0.519035D+01  0.705455D+00  0.528114D+01  0.100623D+02
      3  -0.516968D+00  0.357207D+01 -0.659052D+00 -0.208675D+01 -0.104219D+02
               101           102           103           104           105 
      1  -0.113520D+01  0.339975D+01  0.252967D+00  0.224584D+00 -0.136315D+00
      2  -0.463803D+01  0.811535D+01  0.119309D+01 -0.129975D+01  0.573250D+00
      3  -0.336822D+01 -0.336026D+01 -0.126131D+01  0.765951D+00  0.377493D-01
               106           107           108           109           110 
      1   0.315299D+01  0.894192D+00  0.175172D+01  0.200485D+01 -0.188754D+01
      2   0.208541D+01  0.220035D+01  0.508648D+01 -0.100206D+00 -0.268705D+01
      3  -0.836522D+01  0.112927D+01 -0.187419D+01  0.271784D+01  0.334203D+01
               111           112           113           114           115 
      1  -0.181064D+01  0.143078D+01 -0.255109D+01 -0.535105D+01 -0.213781D+01
      2  -0.816474D+00 -0.122698D+01 -0.682044D+01 -0.385013D+01 -0.103459D+01
      3   0.236282D+01  0.224043D+01  0.184637D+02  0.739111D+01  0.909496D+00
               116           117           118           119           120 
      1   0.143854D+01 -0.344177D+01  0.753774D+00  0.512371D+00 -0.176339D+00
      2  -0.456379D+01 -0.260833D+01 -0.502395D+00 -0.738837D+00  0.632703D+00
      3   0.117385D+02  0.386357D+01  0.104821D+00 -0.554551D+00  0.592466D-02
               121           122           123           124           125 
      1  -0.231955D+00  0.556250D+01 -0.114553D+01 -0.390434D-02  0.315287D+01
      2  -0.292402D+01 -0.269543D+00  0.228013D+00 -0.242133D+01 -0.480301D+00
      3   0.468711D+01  0.131947D-01  0.108928D+00  0.125795D+01  0.115014D+00
               126           127           128           129           130 
      1  -0.964236D+00 -0.829551D+01  0.213500D+01  0.272316D+01  0.552914D+01
      2  -0.430047D+00  0.122143D+02  0.122393D+01  0.939225D+01  0.209515D+01
      3   0.211957D+00  0.196875D+01  0.111443D+01  0.624033D+01  0.581585D+01
               131           132           133           134           135 
      1   0.138105D+02 -0.822277D+01  0.300964D+01 -0.364712D+00 -0.578567D+01
      2  -0.232680D+01  0.232299D+01  0.485724D+01  0.283488D+01 -0.417787D+01
      3   0.656729D+01 -0.101138D+01  0.623404D+01  0.624292D-01 -0.552682D+01
               136           137           138           139           140 
      1  -0.178729D+01  0.756845D-01  0.228402D+01 -0.978355D+00 -0.135376D+01
      2   0.103240D+02 -0.218674D+01 -0.698760D+01 -0.304242D+01 -0.194162D+01
      3  -0.804322D+01  0.447191D+01  0.339627D+01  0.135310D+02  0.184657D+02
               141           142           143           144           145 
      1  -0.504962D+01  0.362262D+01 -0.900219D+00  0.387655D+01 -0.154740D+01
      2   0.907976D+01 -0.167940D+02  0.860068D+01 -0.100320D+02  0.534880D-01
      3   0.310826D+01  0.368752D+01  0.278458D+01 -0.111425D+02 -0.722445D+01
               146           147           148           149           150 
      1   0.183962D+00  0.293843D+01  0.376232D+00 -0.133329D+01 -0.392606D+01
      2   0.442791D+00  0.319843D+01 -0.400235D+00 -0.512183D+00 -0.224025D+01
      3  -0.852180D+00  0.952614D+00  0.432165D+01  0.212575D+00  0.204637D+00
               151           152           153           154           155 
      1   0.166221D+01 -0.701377D+00 -0.540912D+00  0.221018D+01  0.240945D+01
      2  -0.249178D+00 -0.115868D+01 -0.466571D+00 -0.774756D+01  0.146652D+01
      3   0.158863D+01  0.103786D+01 -0.242851D+00 -0.478822D+01 -0.110635D+01
               156           157           158           159           160 
      1   0.442576D+01  0.739993D+00  0.103637D+01 -0.241179D-01  0.355067D+01
      2  -0.328294D+01  0.683621D+00  0.160767D+00 -0.135555D+01 -0.706480D+01
      3  -0.366046D+01  0.140152D+01  0.342416D+00 -0.913412D+00 -0.360387D+01
               161           162           163           164           165 
      1   0.268102D+01  0.316615D+01 -0.136005D+01 -0.453377D+01 -0.519581D+00
      2  -0.805791D+00 -0.168220D+01  0.891589D+01  0.445671D+01 -0.358762D+01
      3  -0.148605D+01 -0.264479D+01  0.545483D+01  0.144540D+01 -0.314085D+01
               166           167           168           169           170 
      1  -0.226075D+01 -0.384625D+01 -0.136875D+01  0.360860D+00  0.225140D+01
      2   0.428604D+01  0.465914D+01 -0.289874D+01 -0.469376D+01 -0.304767D+01
      3   0.434336D+01  0.195133D+01 -0.211645D+01 -0.275980D+01 -0.607905D+00
               171           172           173           174           175 
      1  -0.203886D-01  0.393125D+01  0.328588D+01  0.210173D+01  0.202595D+01
      2   0.285216D+01 -0.169327D+02 -0.160667D+01 -0.362891D+01 -0.193936D+01
      3   0.223373D+01 -0.690510D+01 -0.201471D+01 -0.243394D+01  0.517729D+00
               176           177           178           179           180 
      1   0.692767D+00  0.218059D+00  0.199183D+01  0.206823D+01  0.239895D+01
      2  -0.163991D+01 -0.577437D+00 -0.674471D+01 -0.555966D+00 -0.362609D+01
      3  -0.116338D+01  0.663540D-01 -0.239030D+01 -0.661917D+00 -0.143626D+01
               181           182           183           184           185 
      1  -0.108063D+01 -0.172016D+01 -0.591547D+00 -0.295099D+01 -0.153744D+02
      2  -0.629534D+00  0.105942D+01  0.620273D+00  0.276214D+01 -0.236700D+00
      3  -0.108136D+01 -0.953585D+00  0.200123D-01  0.306273D+01 -0.855364D+01
               186           187           188           189           190 
      1  -0.143279D+01 -0.405182D+00  0.547171D+00 -0.133220D+01  0.486273D+01
      2   0.194400D+01 -0.838146D+00  0.312748D+00  0.517598D+00  0.406071D+01
      3   0.216650D+01 -0.102699D+00 -0.210064D+00 -0.172523D+00  0.358926D+01
               191           192           193           194           195 
      1  -0.383607D+01 -0.468043D+01 -0.279658D+01  0.226253D+01  0.309666D+01
      2  -0.112025D+01  0.592099D+00 -0.237608D+01  0.181127D+00 -0.126182D+01
      3  -0.348996D+01 -0.322460D+01 -0.145021D+01  0.147564D+01  0.193545D+01
               196           197           198           199           200 
      1  -0.393582D+01  0.442042D+01  0.701954D+01 -0.166771D+01  0.690598D+00
      2  -0.468901D+01 -0.906976D-01 -0.895848D+00  0.298687D+01  0.441419D-01
      3  -0.282617D+01  0.214531D+01  0.367232D+01  0.300578D+01 -0.185130D+01
               201           202           203           204           205 
      1  -0.985634D+00  0.369345D+00 -0.155796D+01  0.124903D+01 -0.124340D+01
      2   0.461727D+01  0.687923D+00  0.336890D+01 -0.614190D+01  0.284405D+01
      3   0.149584D+01 -0.910783D+00  0.221538D+01 -0.380426D+01  0.114489D+01
               206           207           208           209           210 
      1   0.435122D+01 -0.497979D+01  0.168377D+01 -0.785142D+00 -0.914332D+00
      2  -0.515561D+01  0.171518D+02 -0.907971D+01  0.163199D+01  0.917712D+01
      3  -0.557714D+01  0.613943D+01  0.778117D+01 -0.610548D+01 -0.292326D+01
               211           212           213           214           215 
      1  -0.295755D+00  0.784582D+00 -0.287025D+00 -0.165073D+01  0.160138D+01
      2   0.277684D+01 -0.218621D+01 -0.431552D+01  0.744806D+01 -0.258963D+01
      3  -0.455385D+01  0.236604D+01  0.209310D+01 -0.398522D+01  0.443483D+01
               216           217           218           219           220 
      1   0.937503D+00  0.550645D+00  0.318113D+00 -0.414570D+00  0.364930D+00
      2  -0.862870D+01 -0.692909D+00  0.170690D-01  0.182209D+01  0.231664D+00
      3   0.384543D+01 -0.272701D+01 -0.351825D+01 -0.567972D+00 -0.425278D+01
               221           222           223           224           225 
      1   0.260475D+01 -0.369200D+01 -0.511393D+00  0.429050D+00 -0.365726D+00
      2   0.999996D+00  0.379166D+01  0.155324D+01  0.148107D+01  0.109745D+01
      3  -0.226301D+02 -0.162986D+01 -0.989996D+00 -0.156497D+01 -0.138094D+01
               226           227           228           229           230 
      1   0.200171D+01  0.165230D+01 -0.226355D+01  0.135855D+01  0.240633D+01
      2  -0.335799D+01 -0.307358D+01  0.459917D+01 -0.317246D+01 -0.368659D+01
      3  -0.168468D+01 -0.225934D+01  0.656943D+00  0.235334D+01 -0.822455D+01
               231           232           233           234 
      1  -0.352307D+01 -0.153177D+01 -0.336173D+01  0.256321D+01
      2   0.299140D+01  0.320135D+01  0.412259D+01 -0.677515D+01
      3   0.150494D+01  0.331593D+00  0.553655D+01 -0.787671D+00
 Property number 4 -- D-Q polarizability derivatives, frequency  1    0.093368:
                 1             2             3             4             5 
      1  -0.536748D+01 -0.977211D+01 -0.620388D+01 -0.366329D+01 -0.168242D+00
      2   0.520837D+01  0.625743D+01  0.860446D+01  0.183155D+01  0.178325D+01
      3   0.159112D+00  0.351468D+01 -0.240058D+01  0.183174D+01 -0.161500D+01
      4  -0.701635D+01 -0.175009D+02  0.319911D+01 -0.287482D+01 -0.206376D+02
      5  -0.882821D+01  0.972774D+00 -0.160911D+02  0.677140D+01  0.476735D+01
      6  -0.150298D+01  0.731490D+01 -0.243580D+01  0.496270D+01  0.437435D+01
                 6             7             8             9            10 
      1   0.723601D+01 -0.796290D+01  0.785563D+01 -0.129074D+02 -0.636539D+01
      2  -0.238491D+01  0.113351D+02 -0.131969D+00  0.107301D+02  0.589148D+01
      3  -0.485110D+01 -0.337224D+01 -0.772367D+01  0.217735D+01  0.473912D+00
      4   0.782149D+01  0.840864D+01  0.170197D+02 -0.113028D+02 -0.223030D+00
      5   0.119496D+01 -0.197793D+02 -0.515897D+01 -0.862491D+01  0.223216D+01
      6  -0.180895D+01 -0.562711D+01 -0.597382D+01  0.405253D+00  0.784260D+01
                11            12            13            14            15 
      1   0.929596D+01 -0.151769D+01  0.118634D+02  0.193604D+02 -0.273542D+01
      2  -0.130978D+02 -0.598758D+00 -0.142556D+02 -0.408931D+02  0.103554D+01
      3   0.380183D+01  0.211645D+01  0.239223D+01  0.215327D+02  0.169988D+01
      4  -0.120561D+01  0.235392D+01  0.156085D+01 -0.129113D+02 -0.548941D+00
      5   0.143201D+01  0.193465D+01  0.109507D+01 -0.338458D+01  0.649582D+00
      6  -0.164575D+01  0.674883D+01 -0.320870D+01 -0.282502D+01  0.431623D+01
                16            17            18            19            20 
      1  -0.144287D+01 -0.432765D+01  0.138184D+02 -0.191730D+02  0.105162D+02
      2  -0.301683D+01  0.106054D+02  0.833217D+01 -0.675499D+01  0.107992D+02
      3   0.445969D+01 -0.627776D+01 -0.221505D+02  0.259280D+02 -0.213154D+02
      4   0.241305D+01 -0.131362D+01  0.414612D+01  0.548506D+02 -0.385075D+02
      5   0.367744D+01  0.104609D+01  0.299470D+01  0.197409D+02 -0.799267D+01
      6   0.609837D+01  0.195932D+01 -0.161208D+02 -0.103414D+02  0.307583D+01
                21            22            23            24            25 
      1   0.109709D+02  0.210752D+02 -0.175352D+02 -0.817098D+01  0.277619D+00
      2  -0.601504D+01 -0.627573D+00 -0.872030D+01  0.122442D+02 -0.141867D+01
      3  -0.495585D+01 -0.204476D+02  0.262555D+02 -0.407322D+01  0.114105D+01
      4  -0.841591D+01 -0.469152D+02  0.610584D+02 -0.138756D+01 -0.474583D+01
      5  -0.686547D+01 -0.149931D+02  0.347015D+01  0.125306D+02  0.702497D+01
      6   0.864781D+01  0.573918D+01  0.137994D+01 -0.501041D+01  0.173311D+01
                26            27            28            29            30 
      1  -0.334969D+01 -0.429047D+01  0.880422D+01 -0.127677D+02 -0.212976D+02
      2   0.685843D+01 -0.840511D+01  0.529145D+01 -0.713070D+01  0.128346D+02
      3  -0.350875D+01  0.126956D+02 -0.140957D+02  0.198984D+02  0.846295D+01
      4  -0.399580D+01  0.104522D+02 -0.376526D+02  0.446313D+02  0.204102D+02
      5   0.310483D+01 -0.454959D+01 -0.398863D+02  0.176994D+02  0.146931D+02
      6   0.488511D+01 -0.145442D+01  0.205807D+02 -0.134353D+02 -0.801441D+01
                31            32            33            34            35 
      1  -0.138435D+02  0.200370D+02  0.150122D+02 -0.371322D+02  0.253518D+02
      2  -0.115398D+02  0.799264D+01 -0.194201D+02  0.240257D+02 -0.306557D+02
      3   0.253833D+02 -0.280296D+02  0.440789D+01  0.131065D+02  0.530398D+01
      4   0.528073D+02 -0.539513D+02  0.954238D+01  0.170183D+02  0.116018D+02
      5   0.571157D+01  0.971642D+01 -0.961309D+01  0.255888D+02 -0.200969D+02
      6  -0.366365D+01 -0.192485D+02  0.617785D+01 -0.154600D+02  0.155256D+02
                36            37            38            39            40 
      1   0.402828D+01  0.632066D+01 -0.582105D+01  0.244485D+01 -0.911346D+01
      2  -0.361303D+01  0.383931D+01  0.189934D+00 -0.449506D+01 -0.799135D+00
      3  -0.415251D+00 -0.101600D+02  0.563112D+01  0.205021D+01  0.991260D+01
      4  -0.194799D+02 -0.303752D+02  0.116171D+02  0.543481D+01  0.454948D+01
      5  -0.105709D+02 -0.378925D+01  0.927555D+00  0.704738D+00  0.256698D+01
      6  -0.133755D+01  0.493984D+01 -0.711070D+01 -0.386990D+01 -0.727370D+01
                41            42            43            44            45 
      1   0.226195D+02  0.662306D+01  0.123206D+02  0.433803D+01  0.405038D+01
      2  -0.497727D+01 -0.282119D+01 -0.799997D+01 -0.675495D+01 -0.418605D+00
      3  -0.176422D+02 -0.380187D+01 -0.432067D+01  0.241692D+01 -0.363177D+01
      4  -0.837594D+01 -0.133971D+01  0.125965D+02 -0.474344D+01 -0.685580D+01
      5  -0.511227D+01  0.253849D+01 -0.469704D+01  0.286654D+01 -0.153821D+01
      6  -0.234995D+01 -0.182170D+02 -0.235884D+01 -0.147823D+02 -0.952084D+00
                46            47            48            49            50 
      1  -0.140334D+02 -0.442792D+01 -0.121531D+02 -0.202584D+01  0.190300D+01
      2   0.149766D+01  0.211262D+01  0.101327D+02  0.547211D+01 -0.186581D+01
      3   0.125357D+02  0.231530D+01  0.202047D+01 -0.344627D+01 -0.371953D-01
      4   0.324563D+01  0.228575D+01 -0.882847D+01  0.573191D+00  0.181457D+02
      5  -0.123830D+02 -0.178411D+01  0.687553D+01 -0.829668D+00 -0.194930D+01
      6  -0.579604D+01  0.361114D+00  0.383131D+01  0.911118D+00 -0.705623D+01
                51            52            53            54            55 
      1  -0.598067D+01 -0.156587D+02 -0.462655D+01  0.853770D+01 -0.290839D+01
      2  -0.226794D+01  0.117979D+02  0.187458D+01 -0.578700D+01 -0.800576D+01
      3   0.824861D+01  0.386082D+01  0.275197D+01 -0.275070D+01  0.109141D+02
      4  -0.149518D+01 -0.180869D+02  0.641375D+00  0.247460D+01  0.153961D+02
      5  -0.428486D+01  0.838655D+01 -0.399511D+01  0.264030D+01  0.363571D+01
      6   0.190251D+01  0.418256D+01 -0.100296D+01  0.614563D+00 -0.503785D+01
                56            57            58            59            60 
      1   0.230175D+00  0.323812D+01 -0.170312D+01 -0.132002D+02  0.120466D+01
      2   0.127865D+02 -0.471566D+01  0.936241D+01  0.795900D+01 -0.935047D-01
      3  -0.130167D+02  0.147754D+01 -0.765929D+01  0.524124D+01 -0.111115D+01
      4  -0.210135D+02 -0.456424D+01 -0.190410D+02  0.939577D+01  0.537500D+01
      5  -0.308372D+01 -0.817638D+00 -0.503116D+01  0.601131D+01  0.237811D+01
      6  -0.171072D+01 -0.743999D+01  0.452438D+00  0.369609D+01 -0.844422D+00
                61            62            63            64            65 
      1   0.286052D+01  0.381945D+01  0.279410D+01  0.667033D+01  0.999264D+01
      2  -0.253242D+01 -0.872679D+01  0.478690D+01  0.569213D+01 -0.632936D+01
      3  -0.328099D+00  0.490733D+01 -0.758100D+01 -0.123625D+02 -0.366328D+01
      4  -0.214273D+01  0.659798D+01 -0.358140D+01  0.632759D+00 -0.457556D+01
      5   0.100014D+01 -0.755967D+00 -0.159092D+01 -0.489758D+01  0.695452D+01
      6  -0.603211D+01  0.271754D+01  0.103297D+02  0.116093D+02  0.141997D+02
                66            67            68            69            70 
      1  -0.320904D+01  0.146666D+02 -0.945326D+01 -0.179742D+01 -0.944574D+00
      2   0.141683D+02 -0.351947D+01  0.354007D+01 -0.647073D+01  0.114846D+02
      3  -0.109593D+02 -0.111471D+02  0.591318D+01  0.826814D+01 -0.105400D+02
      4   0.649025D+01 -0.275688D+01 -0.349013D+01  0.342461D+01  0.106062D+00
      5  -0.162237D+02  0.220462D+01  0.864854D+01 -0.914183D+01 -0.139145D+02
      6  -0.157309D+01  0.132277D+02 -0.122997D+02  0.222783D+00  0.191519D+01
                71            72            73            74            75 
      1  -0.509016D+01 -0.606596D+01  0.224326D+02  0.221637D+01  0.108562D+02
      2   0.620386D+00 -0.302351D+01 -0.171888D+02 -0.170480D+01 -0.115960D+02
      3   0.446978D+01  0.908947D+01 -0.524378D+01 -0.511570D+00  0.739802D+00
      4   0.500657D+01  0.290371D+01  0.800707D+01  0.886129D+01  0.520033D+01
      5  -0.273028D+01 -0.466953D+01  0.197077D+02  0.295195D+01  0.176220D+02
      6  -0.278119D+01  0.104548D+01  0.229502D+01  0.144909D+01  0.324965D+01
                76            77            78            79            80 
      1  -0.426001D+01  0.121605D+01 -0.247317D+01  0.138118D+02 -0.409416D+00
      2   0.398978D+01 -0.789686D+00  0.322169D+01 -0.146766D+02 -0.173817D+00
      3   0.270228D+00 -0.426363D+00 -0.748520D+00  0.864831D+00  0.583233D+00
      4   0.551952D+01  0.693187D+00  0.237932D+01  0.640608D+01  0.377903D+01
      5  -0.293230D+01  0.353068D+01 -0.226104D+01  0.217258D+02  0.473895D+01
      6   0.189280D+01 -0.100878D+00  0.355976D+01  0.361615D+01  0.476935D+01
                81            82            83            84            85 
      1   0.720119D+01 -0.476778D+00 -0.270604D+01 -0.381525D+00 -0.338911D+01
      2  -0.157794D+02  0.649505D+01  0.844440D+01  0.888396D+00  0.918395D+01
      3   0.857824D+01 -0.601827D+01 -0.573836D+01 -0.506870D+00 -0.579484D+01
      4   0.770222D+01  0.645993D+01  0.128506D+02  0.626279D+00  0.111264D+02
      5   0.253137D+02  0.143053D+01  0.214724D+01  0.179576D+01  0.196274D+01
      6   0.501723D+01  0.765464D+00  0.243389D+01  0.709219D+00  0.306808D+01
                86            87            88            89            90 
      1  -0.378227D+02 -0.331573D+01  0.218866D+00  0.263900D+01 -0.519821D+01
      2   0.700764D+02  0.291083D+01 -0.731795D+00 -0.755291D+01  0.439424D+01
      3  -0.322537D+02  0.404897D+00  0.512929D+00  0.491392D+01  0.803966D+00
      4   0.212405D+02  0.189213D+01 -0.162666D+01 -0.219826D+01  0.134581D+01
      5   0.281277D+01  0.187905D+01  0.884764D+00  0.177384D+01 -0.176232D+00
      6   0.135608D+02  0.891849D+01  0.255170D+00  0.763915D+01  0.123147D+01
                91            92            93            94            95 
      1  -0.977493D+00  0.941575D+00  0.354617D+01 -0.154222D+01 -0.525659D+01
      2  -0.348406D+01 -0.214953D+00  0.136532D+00  0.780568D+00  0.484683D+01
      3   0.446156D+01 -0.726622D+00 -0.368271D+01  0.761653D+00  0.409763D+00
      4  -0.199611D+01  0.277518D+01  0.290754D+01  0.507112D+00  0.218977D-01
      5  -0.194105D+01  0.796160D+00  0.585014D+01 -0.296395D+00 -0.393411D-01
      6   0.227662D+01 -0.229030D+01 -0.464387D+01 -0.893218D+00  0.330216D+01
                96            97            98            99           100 
      1  -0.143980D+01  0.418746D+01 -0.793653D+01 -0.244987D+02  0.598052D+02
      2   0.344217D+01  0.102314D+01  0.317398D+01 -0.127429D+02 -0.276354D+02
      3  -0.200237D+01 -0.521060D+01  0.476255D+01  0.372416D+02 -0.321698D+02
      4  -0.100762D+00  0.355407D+01  0.217746D+00 -0.177531D+00 -0.311799D+02
      5  -0.507822D+00  0.520406D+01  0.607591D+00  0.204661D+01  0.172732D+02
      6   0.456165D+01 -0.265139D+01  0.118451D+02  0.280417D+02 -0.101087D+02
               101           102           103           104           105 
      1  -0.102714D+02  0.146621D+02 -0.434799D+00  0.473998D+01  0.874058D+00
      2   0.100744D+01 -0.735567D+01 -0.380058D+01  0.210754D+01 -0.212627D+00
      3   0.926398D+01 -0.730647D+01  0.423538D+01 -0.684752D+01 -0.661430D+00
      4   0.174060D+02 -0.968499D+01  0.121681D+02 -0.938224D+01 -0.439652D+00
      5  -0.574007D+01  0.112319D+02  0.304362D+01 -0.128687D+01 -0.121546D+00
      6   0.406173D+01 -0.577279D+01 -0.578442D+00  0.166216D+01  0.151548D+01
               106           107           108           109           110 
      1   0.307614D+02 -0.779763D+01  0.782472D+01  0.269743D+01 -0.970517D+01
      2  -0.168547D+02  0.415474D+01 -0.639436D+01  0.252522D+01  0.678785D+01
      3  -0.139067D+02  0.364289D+01 -0.143036D+01 -0.522265D+01  0.291732D+01
      4  -0.139953D+02  0.319813D+01 -0.305188D+01 -0.499342D+01  0.455679D+01
      5   0.881837D+01  0.175185D+00  0.950219D+01  0.175353D+01 -0.261955D+01
      6  -0.361495D+01  0.108057D+01 -0.376639D+01  0.682099D-03  0.596942D+01
               111           112           113           114           115 
      1  -0.243589D+01 -0.371936D+01 -0.244381D+02 -0.986532D+01  0.143074D+01
      2   0.241062D+01 -0.157006D+01  0.410056D+02  0.121494D+02 -0.277661D+01
      3   0.252680D-01  0.528942D+01 -0.165675D+02 -0.228409D+01  0.134586D+01
      4  -0.247782D+01  0.126944D+02 -0.300368D+02 -0.110635D+02  0.173633D+00
      5  -0.101788D+01  0.376223D+01 -0.132224D+02 -0.828032D+01 -0.191106D+00
      6   0.343701D+01 -0.370003D+01  0.213073D+02  0.129086D+02  0.838509D+00
               116           117           118           119           120 
      1  -0.158263D+02 -0.901900D+01 -0.256996D+00 -0.117080D+01 -0.143703D+01
      2   0.205041D+02  0.681059D+01  0.240774D+00  0.430244D+00  0.118107D+00
      3  -0.467773D+01  0.220842D+01  0.162220D-01  0.740559D+00  0.131892D+01
      4  -0.118685D+02 -0.359254D+01  0.240274D+01  0.655828D+01  0.307626D+01
      5  -0.507035D+01 -0.442941D+01  0.877892D+00  0.407037D+01  0.494669D+01
      6   0.109775D+02  0.932472D+01  0.457566D+01  0.173684D+01  0.258505D+01
               121           122           123           124           125 
      1  -0.258239D+01 -0.171201D+02 -0.122865D+02 -0.644357D+00 -0.974270D+01
      2   0.146866D+01  0.142406D+02  0.486345D+01  0.467375D+00  0.263690D+01
      3   0.111372D+01  0.287943D+01  0.742306D+01  0.176982D+00  0.710580D+01
      4   0.626693D+01  0.470290D+01  0.258874D+01  0.103570D+01  0.214601D+01
      5   0.355413D+01  0.129963D+01  0.164890D+01  0.326605D+01  0.128444D+01
      6   0.196816D+01  0.212508D+02  0.180767D+02  0.236052D+01  0.154854D+02
               126           127           128           129           130 
      1  -0.139806D+02  0.110179D+02  0.414759D+01  0.559324D+01  0.562779D+01
      2  -0.103969D+01  0.104943D+02 -0.650381D+01 -0.117507D+02 -0.119897D+02
      3   0.150203D+02 -0.215123D+02  0.235622D+01  0.615748D+01  0.636195D+01
      4   0.304376D+01  0.730242D+01  0.676908D+00  0.372380D+01 -0.103610D+01
      5   0.121104D+01  0.482791D+01 -0.480295D+01 -0.197116D+02 -0.660913D+01
      6   0.153530D+02 -0.365768D+00  0.380062D+01  0.155153D+01  0.530372D+01
               131           132           133           134           135 
      1   0.821620D+01  0.267619D+01  0.621314D+01  0.560290D+01 -0.127427D+02
      2  -0.222546D+02  0.128078D+02 -0.112080D+02  0.505306D+01  0.114583D+02
      3   0.140384D+02 -0.154840D+02  0.499488D+01 -0.106560D+02  0.128430D+01
      4  -0.169765D+02  0.158604D+01  0.529420D+01 -0.178664D+00  0.179358D+01
      5   0.407760D+01  0.950857D+01 -0.192881D+02  0.597165D+01  0.930031D+01
      6   0.197103D+02  0.140032D+01  0.103568D+01  0.525191D+01 -0.125397D+02
               136           137           138           139           140 
      1   0.297822D+01  0.159387D+02  0.227455D+02  0.215499D+02  0.112306D+01
      2   0.101328D+01 -0.117386D+02 -0.112556D+02 -0.192427D+02 -0.138889D+02
      3  -0.399150D+01 -0.420010D+01 -0.114899D+02 -0.230722D+01  0.127658D+02
      4   0.153731D+02 -0.457424D+01  0.209462D+01 -0.106197D+02 -0.335131D+02
      5   0.244678D+02 -0.987315D+00 -0.128731D+02 -0.255896D+01 -0.365028D+01
      6   0.415999D+01 -0.541975D+00 -0.140935D+01 -0.171051D+01 -0.527098D+01
               141           142           143           144           145 
      1  -0.176260D+01  0.289879D+02 -0.190340D+01 -0.171167D+02  0.145527D+02
      2  -0.179254D+01 -0.139285D+02 -0.219182D+01  0.156118D+02  0.355563D+01
      3   0.355515D+01 -0.150594D+02  0.409522D+01  0.150484D+01 -0.181083D+02
      4  -0.329786D+01  0.339718D+01 -0.336836D+01  0.117560D+02 -0.289620D+02
      5   0.146019D+02 -0.187023D+02  0.134548D+02 -0.145356D+02 -0.373725D+01
      6   0.196427D+01 -0.149294D+01  0.259773D+01 -0.100365D+01  0.184482D+01
               146           147           148           149           150 
      1  -0.414074D+01 -0.175111D+01 -0.144275D+01 -0.401518D+01 -0.614287D+00
      2  -0.112933D+02  0.104577D+00 -0.109698D+02  0.211694D+02  0.283791D+01
      3   0.154341D+02  0.164653D+01  0.124126D+02 -0.171542D+02 -0.222362D+01
      4   0.264042D+02  0.359856D+01  0.222304D+02 -0.251640D+02 -0.330668D+01
      5   0.216341D+01  0.545391D+01  0.179590D+01 -0.256821D+01 -0.260056D+01
      6  -0.160657D+01 -0.326414D+01 -0.136213D+01  0.247314D+01  0.610764D+01
               151           152           153           154           155 
      1  -0.148474D+01 -0.766919D+00 -0.108154D+01  0.152465D+01  0.103364D+01
      2   0.809694D-01  0.345990D+01  0.208730D+01 -0.116028D+02  0.563545D-01
      3   0.140377D+01 -0.269298D+01 -0.100575D+01  0.100782D+02 -0.108999D+01
      4   0.356953D+01 -0.367459D+01 -0.500367D+01 -0.531625D+01  0.378888D+01
      5   0.525932D+01 -0.392463D+01 -0.205390D+01  0.194310D+02 -0.452510D+01
      6  -0.362744D+01  0.720557D+01  0.105987D+01 -0.890352D+01  0.462207D+01
               156           157           158           159           160 
      1  -0.318335D+01 -0.211687D+01 -0.142321D+01  0.170842D+01 -0.132673D+01
      2  -0.125356D+02 -0.571289D+00 -0.903515D+00 -0.173887D+01 -0.108322D+02
      3   0.157190D+02  0.268816D+01  0.232673D+01  0.304510D-01  0.121589D+02
      4  -0.467547D+01  0.408413D+01 -0.180145D+01  0.280756D+01 -0.356196D+01
      5   0.186102D+02 -0.101507D+01  0.340353D+01 -0.804105D+00  0.163525D+02
      6  -0.885181D+01  0.235695D+01 -0.223587D+01  0.674039D+01 -0.604259D+01
               161           162           163           164           165 
      1   0.411071D+01 -0.111245D+02 -0.280429D+01 -0.744546D+01  0.826656D+01
      2   0.576554D+00 -0.155162D+02 -0.143782D+01  0.449259D+01  0.138114D+01
      3  -0.468726D+01  0.266407D+02  0.424211D+01  0.295287D+01 -0.964770D+01
      4   0.264485D+01 -0.395777D+01  0.826678D+01  0.795483D+01 -0.653108D+01
      5  -0.290400D+01  0.193586D+02 -0.111290D+02 -0.722918D+01  0.119710D+02
      6   0.767094D+01 -0.121332D+02 -0.928926D+01 -0.131588D+02  0.121484D+02
               166           167           168           169           170 
      1  -0.466188D+01 -0.985679D+01  0.888246D+01  0.370068D+01  0.735066D+01
      2   0.267970D+01  0.935405D+01 -0.133957D+01  0.608065D+00 -0.458159D+00
      3   0.198219D+01  0.502744D+00 -0.754289D+01 -0.430874D+01 -0.689250D+01
      4   0.720693D+01  0.589811D+01 -0.453327D+01 -0.428230D+01 -0.385173D+01
      5  -0.543902D+01 -0.658291D+01  0.513230D+01  0.847854D+01  0.449380D+01
      6  -0.825548D+01 -0.136052D+02  0.141502D+02  0.588419D+01  0.116749D+02
               171           172           173           174           175 
      1  -0.104961D+02 -0.458257D+01  0.108672D+01 -0.991247D+01 -0.737400D+00
      2  -0.307495D+01 -0.436718D+01 -0.897044D+00 -0.390810D+01  0.101381D+01
      3   0.135710D+02  0.894974D+01 -0.189676D+00  0.138206D+02 -0.276414D+00
      4   0.429843D+01 -0.864642D+01  0.448082D+00 -0.218754D+01  0.123055D+01
      5  -0.739087D+01  0.132847D+02  0.161107D+01  0.769784D+01  0.199787D+01
      6  -0.139158D+02 -0.110093D+00  0.426569D+01 -0.511969D+01  0.202972D+01
               176           177           178           179           180 
      1  -0.231220D+01 -0.686700D+00 -0.546954D+01 -0.377370D+00 -0.632569D+01
      2   0.271291D+01 -0.269375D+01 -0.240548D+01 -0.127147D+01 -0.596321D+01
      3  -0.400707D+00  0.338045D+01  0.787502D+01  0.164884D+01  0.122889D+02
      4   0.101427D+01  0.887794D-01 -0.286128D+01  0.511405D+00 -0.263728D+01
      5   0.160369D+01 -0.170197D+01  0.915289D+01 -0.138765D+00  0.488976D+01
      6  -0.151729D+01  0.195221D+01 -0.194790D+01  0.232887D+01 -0.180119D+01
               181           182           183           184           185 
      1  -0.357658D+00  0.127998D+01 -0.373447D+00 -0.384044D+00 -0.200067D+02
      2   0.149987D+01  0.173384D+01  0.149616D+01  0.499071D+01  0.364682D+02
      3  -0.114222D+01 -0.301382D+01 -0.112271D+01 -0.460666D+01 -0.164615D+02
      4   0.415800D+01  0.773389D+01 -0.213051D+01  0.103724D+02  0.204787D+02
      5  -0.247475D+01 -0.306630D+01  0.484623D+01 -0.440563D+01 -0.559440D+01
      6  -0.293232D+01 -0.313217D+01  0.115792D+01 -0.573527D+01 -0.288188D+02
               186           187           188           189           190 
      1   0.778078D+01  0.347067D+00  0.176993D+01 -0.198545D+01  0.846140D+01
      2  -0.487819D+01  0.170807D+01  0.141558D+01  0.125040D+01 -0.163458D+02
      3  -0.290259D+01 -0.205513D+01 -0.318551D+01  0.735053D+00  0.788439D+01
      4  -0.493842D+01  0.164439D+00  0.567937D+00  0.194301D+01  0.233148D+01
      5   0.412774D+01  0.301315D+01  0.123556D+01 -0.163154D+01 -0.221294D+02
      6   0.134875D+02  0.102022D+01  0.599503D+01 -0.241206D+01 -0.157528D+00
               191           192           193           194           195 
      1  -0.216837D+01 -0.765111D+00 -0.328775D+01 -0.604583D+00 -0.176891D+01
      2   0.366271D+01  0.158118D+02  0.669582D+01 -0.915917D+00 -0.841163D+01
      3  -0.149434D+01 -0.150467D+02 -0.340806D+01  0.152050D+01  0.101805D+02
      4   0.374285D+01 -0.303975D+01  0.269258D+01 -0.905073D+00 -0.269212D+01
      5   0.271734D+01  0.235861D+02  0.837672D+01 -0.543059D+01 -0.949091D+01
      6  -0.533348D+01  0.193012D+01 -0.419094D+01  0.219534D+01  0.464257D+01
               196           197           198           199           200 
      1  -0.147708D+01 -0.415239D+00 -0.608951D+01  0.841867D+01 -0.430599D+01
      2   0.131774D+02 -0.363675D+01 -0.212272D+02 -0.754522D+01  0.317337D+01
      3  -0.117004D+02  0.405199D+01  0.273167D+02 -0.873447D+00  0.113263D+01
      4  -0.224428D+01 -0.274534D+01  0.155500D+01 -0.337341D+01  0.264840D+01
      5   0.195825D+02 -0.315407D+01 -0.249667D+02  0.839200D+01 -0.295426D+01
      6   0.562200D+00  0.526658D+01 -0.712647D+00 -0.557216D+00  0.533491D+00
               201           202           203           204           205 
      1   0.584817D+01 -0.991337D+01  0.771752D+00 -0.179202D+01  0.128041D+02
      2  -0.602065D+01  0.673698D+01 -0.912614D-01  0.369914D+01 -0.108746D+02
      3   0.172481D+00  0.317639D+01 -0.680491D+00 -0.190712D+01 -0.192955D+01
      4  -0.148978D+01  0.398890D+01 -0.198322D+01  0.565674D+01  0.205517D+00
      5   0.131917D+02 -0.519198D+01  0.544912D+01 -0.999081D+01  0.200871D+02
      6   0.533346D+00  0.651106D+00 -0.141894D+01  0.218789D+01  0.217825D+01
               206           207           208           209           210 
      1  -0.404199D+00  0.626139D+01  0.504575D+02 -0.856185D+01 -0.171477D+02
      2   0.338105D+01 -0.166186D+02 -0.274643D+02  0.534572D+01  0.981869D+01
      3  -0.297685D+01  0.103573D+02 -0.229932D+02  0.321614D+01  0.732898D+01
      4   0.794567D+01 -0.511905D+01 -0.269473D+01  0.826273D+01  0.110547D+01
      5  -0.698895D+01  0.325081D+02 -0.185224D+02  0.288010D+01  0.149630D+02
      6   0.306881D+01  0.300130D+01 -0.183855D+01 -0.111198D+00  0.164396D+01
               211           212           213           214           215 
      1  -0.183774D+02  0.665494D+01  0.444251D+01 -0.318521D+02  0.348233D+01
      2   0.108188D+02 -0.179142D+01 -0.258625D+01  0.182876D+02 -0.231860D+01
      3   0.755852D+01 -0.486351D+01 -0.185625D+01  0.135644D+02 -0.116373D+01
      4   0.988588D+01 -0.274216D+01 -0.395541D+01 -0.593969D+00 -0.664827D+01
      5   0.576464D+01 -0.381795D+01 -0.721953D+01  0.199907D+02 -0.464941D+01
      6  -0.563567D+00  0.142113D+01  0.116766D+01  0.152844D+01  0.123116D+01
               216           217           218           219           220 
      1   0.135158D+02  0.604634D+01  0.532282D+01 -0.127830D+01  0.101780D+02
      2  -0.113111D+02  0.778145D-01 -0.404636D+00  0.980362D+00  0.346339D+01
      3  -0.220469D+01 -0.612415D+01 -0.491819D+01  0.297942D+00 -0.136414D+02
      4  -0.272794D+01  0.775134D+01  0.114375D+02  0.108406D+01  0.254312D+02
      5  -0.161846D+02 -0.734715D+00  0.169075D+01  0.300440D+01  0.388068D+01
      6  -0.126201D+01  0.774619D+00  0.897566D+00  0.299817D+00  0.315784D+01
               221           222           223           224           225 
      1  -0.467658D+01  0.235182D+00 -0.292653D+01 -0.289363D+00  0.101908D+01
      2   0.256098D+02  0.737005D+00  0.133707D+01  0.862570D+00  0.232182D+00
      3  -0.209333D+02 -0.972187D+00  0.158946D+01 -0.573207D+00 -0.125126D+01
      4   0.464499D+02  0.413043D+01  0.111217D+01  0.284422D+01  0.401745D+01
      5   0.429497D+01  0.662459D+01  0.578475D+01  0.393575D+01  0.278938D+01
      6   0.738209D+01  0.674380D+01  0.239787D+01  0.572816D+01  0.139072D+01
               226           227           228           229           230 
      1   0.153311D+02  0.107714D+02 -0.483982D+01  0.748302D+01  0.240444D+01
      2  -0.559790D+01 -0.271967D+01  0.121802D+01 -0.932647D-01  0.591230D+01
      3  -0.973315D+01 -0.805172D+01  0.362181D+01 -0.738975D+01 -0.831674D+01
      4   0.183833D+02  0.210020D+02 -0.620803D+01  0.145092D+02  0.249034D+02
      5  -0.638844D+01 -0.315784D+01  0.759774D+01 -0.318572D+01 -0.644670D+01
      6  -0.472418D+01 -0.464499D+01  0.392089D+01 -0.437229D+01 -0.589656D+01
               231           232           233           234 
      1  -0.270040D+01 -0.974205D+01 -0.377165D+01  0.522060D+01
      2  -0.140852D+01  0.378081D+01 -0.201862D+01 -0.342985D+01
      3   0.410892D+01  0.596124D+01  0.579027D+01 -0.179075D+01
      4  -0.798052D+01 -0.113139D+02 -0.201358D+02  0.100557D+02
      5   0.320361D+01  0.945554D+01  0.701021D+01 -0.942823D+01
      6   0.615242D+01  0.538078D+01  0.790099D+01 -0.633183D+01
 Leave Link  716 at Thu Jul 22 20:09:20 2021, MaxMem= 17179869184 cpu:               0.7 elap:               0.1
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l9999.exe)
 AllDun F.D. properties on file 20721 Mask=       B NFrqRd=     1 NDeriv=     1 ND12= 1 LenFil=      39:
 Frequencies=    0.093368
 Property number 1 -- Alpha(-w,w) frequency  1    0.093368:
                 1             2             3 
      1   0.126162D+03 -0.786811D+01  0.213566D+00
      2  -0.786811D+01  0.118265D+03  0.107159D+01
      3   0.213566D+00  0.107159D+01  0.102976D+03
 Property number 2 -- FD Optical Rotation Tensor frequency  1    0.093368:
                 1             2             3 
      1   0.398659D+01 -0.356787D+01  0.245717D+01
      2   0.705218D+01  0.221055D+01 -0.724309D+01
      3   0.108937D+02 -0.988998D+01 -0.621501D+01
 Property number 4 -- D-Q polarizability frequency  1    0.093368:
                 1             2             3 
      1   0.130255D+02 -0.311635D+02  0.378949D+01
      2   0.194692D+02 -0.827464D+01 -0.832366D+01
      3  -0.324948D+02  0.394382D+02  0.453417D+01
      4  -0.737167D+02  0.589753D+02  0.129794D+02
      5   0.575483D+01  0.189049D+02 -0.210465D+02
      6   0.973579D+01 -0.398885D+01 -0.959593D-01
 AllDun F.D. properties on file 20722 Mask=       B NFrqRd=     1 NDeriv=    78 ND12= 1 LenFil=    2811:
 Frequencies=    0.093368
 Property number 1 -- Alpha(-w,w) derivatives, frequency  1    0.093368:
                 1             2             3             4             5 
      1  -0.140806D+01 -0.200203D+01 -0.165374D+01 -0.955771D+00  0.123722D+01
      2  -0.200203D+01 -0.159581D+01  0.114424D+01  0.123722D+01 -0.370763D+01
      3  -0.165374D+01  0.114424D+01 -0.261687D+01  0.180562D+01  0.115696D+01
                 6             7             8             9            10 
      1   0.180562D+01 -0.313644D+01  0.203541D+01 -0.324032D+01 -0.449321D-02
      2   0.115696D+01  0.203541D+01  0.254440D+01 -0.108758D+01  0.229495D+01
      3  -0.713198D-01 -0.324032D+01 -0.108758D+01 -0.700057D+00  0.168573D+01
                11            12            13            14            15 
      1   0.229495D+01  0.168573D+01  0.194342D+01 -0.293654D+01 -0.122372D+00
      2  -0.312386D+01 -0.575124D-01 -0.293654D+01 -0.602589D+01  0.730980D+00
      3  -0.575124D-01  0.188906D+01 -0.122372D+00  0.730980D+00  0.901765D+00
                16            17            18            19            20 
      1   0.217041D+01  0.768317D-01  0.187574D+01 -0.129004D+02  0.948932D+01
      2   0.768317D-01  0.136308D+01 -0.122088D+00  0.948932D+01 -0.774703D+01
      3   0.187574D+01 -0.122088D+00 -0.529276D+01  0.302130D+01 -0.688745D+00
                21            22            23            24            25 
      1   0.302130D+01  0.860999D+01 -0.806265D+01 -0.129022D+01  0.403353D+00
      2  -0.688745D+00 -0.806265D+01  0.108463D+02 -0.192863D+01  0.266217D+00
      3  -0.137522D+01 -0.129022D+01 -0.192863D+01  0.210977D+01 -0.106352D+01
                26            27            28            29            30 
      1   0.266217D+00 -0.106352D+01  0.727478D+01 -0.688215D+01 -0.541200D+01
      2  -0.186994D+01  0.132710D+01 -0.688215D+01  0.749679D+01  0.254191D+01
      3   0.132710D+01 -0.431479D-01 -0.541200D+01  0.254191D+01  0.216405D+01
                31            32            33            34            35 
      1  -0.918898D+01  0.869407D+01  0.436669D+00 -0.656455D+01  0.136023D+01
      2   0.869407D+01 -0.927951D+01  0.373308D+01  0.136023D+01  0.502881D+01
      3   0.436669D+00  0.373308D+01 -0.210362D+01  0.371745D+01 -0.357737D+01
                36            37            38            39            40 
      1   0.371745D+01  0.113276D+02 -0.549643D+01 -0.379523D+01 -0.197915D+01
      2  -0.357737D+01 -0.549643D+01  0.326918D+01 -0.396443D+00  0.257264D+01
      3  -0.785515D+00 -0.379523D+01 -0.396443D+00  0.229767D+01 -0.989438D+00
                41            42            43            44            45 
      1   0.257264D+01 -0.989438D+00 -0.659373D+01  0.269602D+00  0.296667D+01
      2   0.672021D+00  0.510592D+01  0.269602D+00  0.492031D+01  0.837089D+00
      3   0.510592D+01  0.881065D+00  0.296667D+01  0.837089D+00 -0.113863D+01
                46            47            48            49            50 
      1  -0.402386D+01  0.293653D+01  0.552372D+01  0.391422D+01 -0.440833D+01
      2   0.293653D+01 -0.247455D+01  0.630692D-01 -0.440833D+01 -0.660088D+01
      3   0.552372D+01  0.630692D-01 -0.215649D+01 -0.238582D+00 -0.245610D+00
                51            52            53            54            55 
      1  -0.238582D+00  0.103505D+02 -0.168696D+01 -0.258376D+01  0.151961D+01
      2  -0.245610D+00 -0.168696D+01  0.649610D+00  0.219591D+01 -0.298857D+01
      3   0.170826D+01 -0.258376D+01  0.219591D+01 -0.884219D+00 -0.233729D+01
                56            57            58            59            60 
      1  -0.298857D+01 -0.233729D+01 -0.314249D+01  0.547050D+01  0.816525D-01
      2   0.524149D+01 -0.165642D+00  0.547050D+01  0.365013D+01 -0.217915D+01
      3  -0.165642D+00 -0.134070D+01  0.816525D-01 -0.217915D+01  0.136411D+01
                61            62            63            64            65 
      1  -0.226962D+01 -0.566167D+00 -0.155347D+01 -0.979065D-01 -0.876341D+00
      2  -0.566167D+00 -0.268151D+01  0.553243D+00 -0.876341D+00 -0.369156D+01
      3  -0.155347D+01  0.553243D+00  0.463268D+01  0.386826D+01  0.242535D+01
                66            67            68            69            70 
      1   0.386826D+01  0.553781D+00 -0.403669D+01  0.303506D+01  0.361628D+01
      2   0.242535D+01 -0.403669D+01  0.380016D+01 -0.133491D+01  0.169992D+01
      3   0.180718D+01  0.303506D+01 -0.133491D+01 -0.258290D+01  0.141276D+01
                71            72            73            74            75 
      1   0.169992D+01  0.141276D+01  0.426357D+01  0.554660D+00  0.251259D+01
      2  -0.254212D+00 -0.206452D+01  0.554660D+00  0.126226D+01  0.398289D+00
      3  -0.206452D+01 -0.151110D+01  0.251259D+01  0.398289D+00  0.237852D+01
                76            77            78            79            80 
      1  -0.669149D+00  0.682347D+00 -0.512070D+00  0.367301D+01  0.215887D+00
      2   0.682347D+00 -0.508337D-01  0.529158D+00  0.215887D+00  0.673555D+00
      3  -0.512070D+00  0.529158D+00 -0.263075D+00  0.308064D+01  0.786218D+00
                81            82            83            84            85 
      1   0.308064D+01  0.904159D+00  0.141852D+01 -0.111591D+00  0.151927D+01
      2   0.786218D+00  0.141852D+01  0.176660D+01  0.199464D+00  0.193308D+01
      3   0.416491D+01 -0.111591D+00  0.199464D+00 -0.732005D-01  0.240744D+00
                86            87            88            89            90 
      1   0.193308D+01  0.240744D+00 -0.631223D+00 -0.190990D+00 -0.310049D-01
      2   0.114364D+02  0.753640D+00 -0.190990D+00 -0.122266D+01  0.111890D+01
      3   0.753640D+00  0.104255D+01 -0.310049D-01  0.111890D+01  0.422693D+00
                91            92            93            94            95 
      1  -0.796423D+00 -0.123137D+00  0.938448D+00 -0.392995D+00  0.132853D-01
      2  -0.123137D+00  0.177498D-01 -0.280910D+00  0.132853D-01  0.658962D+00
      3   0.938448D+00 -0.280910D+00 -0.122347D+01  0.153841D-01  0.893404D+00
                96            97            98            99           100 
      1   0.153841D-01  0.131918D+01 -0.434584D-01 -0.895098D+00  0.904190D+01
      2   0.893404D+00 -0.434584D-01  0.159556D+01  0.171705D+01 -0.237390D+01
      3  -0.169594D+00 -0.895098D+00  0.171705D+01  0.831091D+01  0.282692D+01
               101           102           103           104           105 
      1  -0.237390D+01  0.282692D+01 -0.635994D+00  0.145324D+01  0.457517D+00
      2   0.185122D+01 -0.837107D+00  0.145324D+01 -0.149613D+01 -0.271999D+00
      3  -0.837107D+00  0.151905D+01  0.457517D+00 -0.271999D+00  0.353240D-01
               106           107           108           109           110 
      1   0.517622D+01 -0.858844D+00  0.130453D+01  0.937502D+00 -0.116833D+01
      2  -0.858844D+00 -0.360094D-01  0.369262D-01 -0.116833D+01 -0.792490D+00
      3   0.130453D+01  0.369262D-01  0.113483D+01  0.196028D+00 -0.106743D+01
               111           112           113           114           115 
      1   0.196028D+00 -0.159691D+01  0.139795D+01  0.445982D+00  0.617673D-01
      2  -0.106743D+01  0.139795D+01 -0.806604D+01 -0.298065D+01 -0.785150D-01
      3  -0.585444D+00  0.445982D+00 -0.298065D+01 -0.185065D+01 -0.291720D+00
               116           117           118           119           120 
      1  -0.785150D-01 -0.291720D+00 -0.522634D+00 -0.964195D+00 -0.456969D+00
      2  -0.408993D+01 -0.145368D+01 -0.964195D+00 -0.685743D+00 -0.339301D+00
      3  -0.145368D+01 -0.133357D+01 -0.456969D+00 -0.339301D+00 -0.666068D+00
               121           122           123           124           125 
      1  -0.166800D+01 -0.494640D+00 -0.431460D+00 -0.285690D-01 -0.437493D+00
      2  -0.494640D+00 -0.517435D+01 -0.319255D+01 -0.437493D+00 -0.253863D+01
      3  -0.431460D+00 -0.319255D+01 -0.282021D+01 -0.554200D+00 -0.252943D+01
               126           127           128           129           130 
      1  -0.554200D+00 -0.237809D+01 -0.153755D+01 -0.434783D+01 -0.177200D+01
      2  -0.252943D+01 -0.153755D+01  0.124551D+01  0.210096D+00  0.201240D+01
      3  -0.351183D+01 -0.434783D+01  0.210096D+00  0.210397D+01  0.629251D+00
               131           132           133           134           135 
      1   0.201240D+01  0.629251D+00 -0.459173D+01  0.480948D+00  0.212408D+01
      2   0.640179D+01 -0.642343D+00  0.480948D+00  0.170473D+00 -0.254242D+01
      3  -0.642343D+00 -0.279362D+01  0.212408D+01 -0.254242D+01  0.133496D+00
               136           137           138           139           140 
      1  -0.416568D+00 -0.237699D+01 -0.392881D+01 -0.334072D+01  0.288308D+01
      2  -0.237699D+01  0.119534D+01  0.127392D+00  0.288308D+01  0.628028D+01
      3  -0.392881D+01  0.127392D+00  0.206298D+01  0.361058D+00  0.847797D+00
               141           142           143           144           145 
      1   0.361058D+00 -0.543531D+01  0.786428D+00  0.294735D+01 -0.587487D+01
      2   0.847797D+00  0.786428D+00  0.468186D+00 -0.255484D+01  0.398397D+01
      3  -0.277628D+01  0.294735D+01 -0.255484D+01  0.273729D+01  0.926442D+00
               146           147           148           149           150 
      1   0.398397D+01  0.926442D+00  0.315257D+01 -0.358627D+01 -0.219378D+00
      2  -0.430908D+01 -0.485594D+00 -0.358627D+01  0.506170D+01  0.896330D+00
      3  -0.485594D+00 -0.798748D+00 -0.219378D+00  0.896330D+00  0.798341D+00
               151           152           153           154           155 
      1   0.995094D+00 -0.341545D+00 -0.863743D+00 -0.402555D+01  0.102301D+01
      2  -0.341545D+00  0.109402D+01  0.118134D+01  0.102301D+01 -0.835005D+00
      3  -0.863743D+00  0.118134D+01  0.329321D+00 -0.335057D+01  0.468283D+00
               156           157           158           159           160 
      1  -0.335057D+01  0.101817D+00 -0.322722D+00 -0.126858D+00 -0.301134D+01
      2   0.468283D+00 -0.322722D+00  0.200056D+00 -0.850457D+00  0.378248D+00
      3  -0.377768D+01 -0.126858D+00 -0.850457D+00  0.504247D+00 -0.301549D+01
               161           162           163           164           165 
      1   0.378248D+00 -0.301549D+01  0.284340D+01  0.180807D+01 -0.231262D+01
      2  -0.111910D+01  0.120138D+01  0.180807D+01  0.264334D+01 -0.196994D+01
      3   0.120138D+01 -0.531627D+01 -0.231262D+01 -0.196994D+01  0.279911D+01
               166           167           168           169           170 
      1   0.118583D+01  0.186449D+01 -0.119920D+01 -0.136123D+01 -0.105049D+01
      2   0.186449D+01  0.282164D+01 -0.199246D+01 -0.105049D+01 -0.150600D+01
      3  -0.119920D+01 -0.199246D+01  0.243729D+01  0.126155D+01  0.210644D+01
               171           172           173           174           175 
      1   0.126155D+01  0.501656D+01  0.563914D+00  0.173755D+01  0.698102D+00
      2   0.210644D+01  0.563914D+00  0.891584D+00 -0.301168D+00  0.448570D+00
      3  -0.330943D+01  0.173755D+01 -0.301168D+00  0.262540D+01 -0.848076D-01
               176           177           178           179           180 
      1   0.448570D+00 -0.848076D-01  0.174420D+01 -0.189463D-01  0.132842D+01
      2  -0.341512D+00  0.329269D+00 -0.189463D-01  0.335458D+00  0.266718D+00
      3   0.329269D+00  0.595054D+00  0.132842D+01  0.266718D+00  0.207772D+01
               181           182           183           184           185 
      1  -0.419839D+00 -0.942725D+00  0.676748D+00 -0.141792D+01 -0.170462D+01
      2  -0.942725D+00 -0.922885D+00  0.162332D+00 -0.170462D+01 -0.841116D+01
      3   0.676748D+00  0.162332D+00 -0.564777D+00  0.394365D+00  0.206849D+01
               186           187           188           189           190 
      1   0.394365D+00  0.223139D+00 -0.101264D+00 -0.379440D+00 -0.364780D+01
      2   0.206849D+01 -0.101264D+00  0.556992D-02 -0.692167D+00  0.516423D+00
      3  -0.180074D+01 -0.379440D+00 -0.692167D+00  0.261727D+00  0.329901D+01
               191           192           193           194           195 
      1   0.516423D+00  0.329901D+01  0.149019D+01 -0.921719D+00 -0.113500D+01
      2  -0.109924D+01 -0.184642D+00 -0.921719D+00  0.289188D+00  0.970070D+00
      3  -0.184642D+00 -0.400446D+01 -0.113500D+01  0.970070D+00  0.225952D+01
               196           197           198           199           200 
      1   0.258633D+01 -0.255348D+00 -0.302925D+01 -0.125397D+01  0.837882D+00
      2  -0.255348D+00  0.727607D+00  0.755876D+00  0.837882D+00 -0.339387D+00
      3  -0.302925D+01  0.755876D+00  0.539666D+01 -0.120931D+01  0.291393D+00
               201           202           203           204           205 
      1  -0.120931D+01  0.178376D+01 -0.606435D+00  0.569429D+00 -0.259661D+01
      2   0.291393D+00 -0.606435D+00  0.374888D+00 -0.108031D+01  0.712131D-01
      3  -0.156910D+01  0.569429D+00 -0.108031D+01  0.169176D+01 -0.260862D+01
               206           207           208           209           210 
      1   0.712131D-01 -0.260862D+01 -0.699148D+01  0.102758D+01  0.258341D+01
      2  -0.134098D+01  0.130372D+01  0.102758D+01 -0.965510D+00 -0.430253D+00
      3   0.130372D+01 -0.558986D+01  0.258341D+01 -0.430253D+00 -0.181202D+01
               211           212           213           214           215 
      1   0.298868D+01 -0.159535D+01 -0.787261D+00  0.543356D+01 -0.513005D+00
      2  -0.159535D+01  0.365486D+00  0.569151D+00 -0.513005D+00  0.937269D+00
      3  -0.787261D+00  0.569151D+00  0.108264D+01 -0.264441D+01  0.705615D+00
               216           217           218           219           220 
      1  -0.264441D+01 -0.114809D+01 -0.104765D+01  0.209247D+00 -0.313171D+01
      2   0.705615D+00 -0.104765D+01 -0.929285D+00 -0.102988D+00 -0.345024D+01
      3   0.223309D+01  0.209247D+00 -0.102988D+00 -0.223057D+00 -0.479497D+00
               221           222           223           224           225 
      1  -0.345024D+01 -0.479497D+00  0.398215D+00 -0.229604D+00 -0.829349D+00
      2  -0.796636D+01 -0.711498D+00 -0.229604D+00 -0.466064D+00 -0.737571D+00
      3  -0.711498D+00 -0.105712D+01 -0.829349D+00 -0.737571D+00 -0.470295D+00
               226           227           228           229           230 
      1   0.278095D+01  0.232518D+01 -0.108945D+01  0.195018D+01  0.146330D+01
      2   0.232518D+01  0.263036D+01 -0.724150D+00  0.146330D+01  0.426131D+01
      3  -0.108945D+01 -0.724150D+00  0.114030D+01 -0.856603D+00 -0.117368D+01
               231           232           233           234 
      1  -0.856603D+00 -0.193086D+01 -0.126831D+01  0.156421D+01
      2  -0.117368D+01 -0.126831D+01 -0.338888D+01  0.126815D+01
      3   0.877428D+00  0.156421D+01  0.126815D+01 -0.194860D+01
 Property number 2 -- FD Optical Rotation Tensor derivatives, frequency  1    0.093368:
                 1             2             3             4             5 
      1   0.158624D+01 -0.142092D+01  0.303199D+01  0.706345D+00 -0.296460D+01
      2  -0.648277D+01  0.729624D+01 -0.434679D+01  0.587669D+01  0.464822D+01
      3   0.837019D+01 -0.774650D+01 -0.702163D+01 -0.225826D+01  0.523150D+01
                 6             7             8             9            10 
      1  -0.124441D+01  0.331584D+01  0.904553D+01  0.208511D+01 -0.175877D+01
      2  -0.401442D+00 -0.910724D+01 -0.592239D+01 -0.393261D+00  0.207766D+01
      3  -0.157459D+01 -0.950634D+01 -0.274379D+01 -0.251985D+01 -0.710101D+00
                11            12            13            14            15 
      1  -0.292621D+01 -0.395291D+01 -0.271173D+01 -0.101427D+02 -0.380396D+01
      2  -0.234756D+01  0.406511D+00 -0.310404D+01  0.212131D+01  0.426209D+00
      3   0.693690D+01  0.471102D+01  0.114791D+02 -0.474800D+01 -0.276284D+00
                16            17            18            19            20 
      1  -0.507705D+01  0.497028D+01  0.139147D+02 -0.254890D+01  0.171946D+01
      2  -0.487705D+01  0.776821D+00 -0.476596D+01  0.141187D+01  0.560907D+01
      3   0.609931D+01  0.548994D-01  0.311670D+01  0.323807D+01 -0.246696D+01
                21            22            23            24            25 
      1  -0.490839D+01 -0.435599D+00 -0.880523D+01  0.572232D+01 -0.874153D+01
      2  -0.353128D+01  0.344316D+01 -0.650700D+01  0.640276D+01 -0.137651D+02
      3  -0.357846D+01  0.121036D+02 -0.172433D+02  0.630761D+01  0.646380D+00
                26            27            28            29            30 
      1   0.140362D+02  0.182588D+01 -0.755153D+01 -0.716288D-01  0.432220D+01
      2   0.845184D+01 -0.234287D+01 -0.716961D+01  0.413987D+01  0.553420D+01
      3   0.327534D+01 -0.681302D+00  0.839790D+01 -0.126451D+02  0.304704D+01
                31            32            33            34            35 
      1  -0.406965D+01  0.107083D+02 -0.722216D+01  0.203395D+01 -0.104974D+01
      2  -0.295995D+01  0.142273D+02 -0.676833D+01 -0.469920D+00 -0.512487D+01
      3  -0.173580D+01  0.571515D+01 -0.107743D+02  0.866950D+01 -0.164337D+02
                36            37            38            39            40 
      1   0.325700D+01 -0.863614D+00 -0.139932D+01  0.229981D+01 -0.442406D+01
      2  -0.191797D+01  0.102422D+02 -0.661995D+01 -0.159279D+01 -0.297406D+01
      3   0.262908D+01 -0.207506D+01 -0.828396D+00  0.136650D+01  0.810210D+01
                41            42            43            44            45 
      1   0.736187D+01 -0.870938D+01  0.626422D+01 -0.398246D+01 -0.201733D+01
      2   0.353929D+01 -0.151780D+01 -0.149290D+02  0.406958D+01  0.375535D+01
      3  -0.439885D+01 -0.165648D+01  0.260642D+01  0.421593D+00 -0.216855D+01
                46            47            48            49            50 
      1   0.343468D+01 -0.299262D+00 -0.149409D+01 -0.170228D+01 -0.356370D+01
      2  -0.125258D+02  0.717389D+00  0.867327D+01  0.284210D+01 -0.865449D+00
      3   0.349809D+01 -0.969997D+01 -0.138221D+01 -0.788901D+00 -0.122044D+02
                51            52            53            54            55 
      1  -0.200420D+01 -0.339748D+01  0.774404D+01  0.390096D+00  0.327753D+01
      2  -0.352875D+01  0.270674D+01 -0.662860D+01  0.353686D+01  0.235491D+01
      3  -0.985801D+00 -0.475459D+01  0.569925D+00  0.674534D+01 -0.252536D+01
                56            57            58            59            60 
      1   0.143365D+01  0.490505D+01  0.220020D+01  0.404114D+01 -0.485334D+01
      2   0.241990D+01  0.419540D+01  0.142886D+01  0.167318D+01 -0.116286D+01
      3  -0.453731D+01 -0.396561D+01  0.308537D+01  0.125908D+02 -0.183356D+01
                61            62            63            64            65 
      1   0.324413D+01  0.202509D+01 -0.105758D+02 -0.133008D+01  0.359395D+01
      2  -0.166250D+01 -0.243546D+01 -0.561533D+01 -0.236417D+01 -0.559053D+01
      3  -0.504268D+01 -0.330362D+01 -0.313417D+01  0.589035D+00 -0.705467D+01
                66            67            68            69            70 
      1  -0.960636D+01  0.660557D+01 -0.798886D+01  0.375848D+01 -0.706914D+01
      2   0.111898D+02 -0.309512D+01 -0.702184D+01  0.851087D+01  0.408230D+01
      3   0.706208D+01 -0.129205D+01 -0.135513D+01  0.305592D+01  0.504991D+01
                71            72            73            74            75 
      1   0.710072D+01  0.845194D+01 -0.280764D+01  0.661646D+00 -0.280993D+01
      2   0.659010D+01  0.610134D+01  0.254281D+01  0.125128D+01  0.585845D+01
      3   0.184853D+01  0.156782D+01  0.367803D+01 -0.367992D+01  0.227003D+01
                76            77            78            79            80 
      1   0.284018D+00 -0.116802D+00 -0.120746D+00 -0.295007D+01  0.123186D+01
      2  -0.506634D+00  0.542658D+00 -0.722528D+00  0.273703D+01  0.188687D+01
      3  -0.334579D+00  0.208220D+01 -0.116544D+01  0.436875D+01 -0.246792D+01
                81            82            83            84            85 
      1  -0.427354D+01  0.161404D+01  0.175633D+01  0.540861D-01  0.110312D+01
      2   0.873780D+01 -0.961874D+00 -0.105785D+01  0.137324D+01 -0.162506D+01
      3   0.236072D+01  0.195769D+01  0.356083D+00 -0.620629D+00  0.552468D+01
                86            87            88            89            90 
      1   0.913203D+01 -0.467402D+01  0.145832D+00 -0.217978D+01  0.294484D+00
      2  -0.135442D+01  0.857059D+00 -0.747890D-01  0.461557D+00  0.131839D+00
      3  -0.275012D+01  0.386560D+00 -0.183959D+01  0.561561D+00 -0.586972D+00
                91            92            93            94            95 
      1  -0.237286D+01 -0.413169D+00  0.264232D+01 -0.594696D+00 -0.156445D+01
      2   0.140537D+01  0.425592D+00 -0.727950D+00  0.103914D+01  0.546620D+00
      3  -0.222936D+01 -0.207725D+01  0.175800D+01 -0.641006D+00  0.877502D+00
                96            97            98            99           100 
      1   0.125145D+01  0.236484D+01  0.169404D+01 -0.171010D+02  0.706058D+01
      2  -0.384905D+00 -0.519035D+01  0.705455D+00  0.528114D+01  0.100623D+02
      3  -0.516968D+00  0.357207D+01 -0.659052D+00 -0.208675D+01 -0.104219D+02
               101           102           103           104           105 
      1  -0.113520D+01  0.339975D+01  0.252967D+00  0.224584D+00 -0.136315D+00
      2  -0.463803D+01  0.811535D+01  0.119309D+01 -0.129975D+01  0.573250D+00
      3  -0.336822D+01 -0.336026D+01 -0.126131D+01  0.765951D+00  0.377493D-01
               106           107           108           109           110 
      1   0.315299D+01  0.894192D+00  0.175172D+01  0.200485D+01 -0.188754D+01
      2   0.208541D+01  0.220035D+01  0.508648D+01 -0.100206D+00 -0.268705D+01
      3  -0.836522D+01  0.112927D+01 -0.187419D+01  0.271784D+01  0.334203D+01
               111           112           113           114           115 
      1  -0.181064D+01  0.143078D+01 -0.255109D+01 -0.535105D+01 -0.213781D+01
      2  -0.816474D+00 -0.122698D+01 -0.682044D+01 -0.385013D+01 -0.103459D+01
      3   0.236282D+01  0.224043D+01  0.184637D+02  0.739111D+01  0.909496D+00
               116           117           118           119           120 
      1   0.143854D+01 -0.344177D+01  0.753774D+00  0.512371D+00 -0.176339D+00
      2  -0.456379D+01 -0.260833D+01 -0.502395D+00 -0.738837D+00  0.632703D+00
      3   0.117385D+02  0.386357D+01  0.104821D+00 -0.554551D+00  0.592466D-02
               121           122           123           124           125 
      1  -0.231955D+00  0.556250D+01 -0.114553D+01 -0.390434D-02  0.315287D+01
      2  -0.292402D+01 -0.269543D+00  0.228013D+00 -0.242133D+01 -0.480301D+00
      3   0.468711D+01  0.131947D-01  0.108928D+00  0.125795D+01  0.115014D+00
               126           127           128           129           130 
      1  -0.964236D+00 -0.829551D+01  0.213500D+01  0.272316D+01  0.552914D+01
      2  -0.430047D+00  0.122143D+02  0.122393D+01  0.939225D+01  0.209515D+01
      3   0.211957D+00  0.196875D+01  0.111443D+01  0.624033D+01  0.581585D+01
               131           132           133           134           135 
      1   0.138105D+02 -0.822277D+01  0.300964D+01 -0.364712D+00 -0.578567D+01
      2  -0.232680D+01  0.232299D+01  0.485724D+01  0.283488D+01 -0.417787D+01
      3   0.656729D+01 -0.101138D+01  0.623404D+01  0.624292D-01 -0.552682D+01
               136           137           138           139           140 
      1  -0.178729D+01  0.756845D-01  0.228402D+01 -0.978355D+00 -0.135376D+01
      2   0.103240D+02 -0.218674D+01 -0.698760D+01 -0.304242D+01 -0.194162D+01
      3  -0.804322D+01  0.447191D+01  0.339627D+01  0.135310D+02  0.184657D+02
               141           142           143           144           145 
      1  -0.504962D+01  0.362262D+01 -0.900219D+00  0.387655D+01 -0.154740D+01
      2   0.907976D+01 -0.167940D+02  0.860068D+01 -0.100320D+02  0.534880D-01
      3   0.310826D+01  0.368752D+01  0.278458D+01 -0.111425D+02 -0.722445D+01
               146           147           148           149           150 
      1   0.183962D+00  0.293843D+01  0.376232D+00 -0.133329D+01 -0.392606D+01
      2   0.442791D+00  0.319843D+01 -0.400235D+00 -0.512183D+00 -0.224025D+01
      3  -0.852180D+00  0.952614D+00  0.432165D+01  0.212575D+00  0.204637D+00
               151           152           153           154           155 
      1   0.166221D+01 -0.701377D+00 -0.540912D+00  0.221018D+01  0.240945D+01
      2  -0.249178D+00 -0.115868D+01 -0.466571D+00 -0.774756D+01  0.146652D+01
      3   0.158863D+01  0.103786D+01 -0.242851D+00 -0.478822D+01 -0.110635D+01
               156           157           158           159           160 
      1   0.442576D+01  0.739993D+00  0.103637D+01 -0.241179D-01  0.355067D+01
      2  -0.328294D+01  0.683621D+00  0.160767D+00 -0.135555D+01 -0.706480D+01
      3  -0.366046D+01  0.140152D+01  0.342416D+00 -0.913412D+00 -0.360387D+01
               161           162           163           164           165 
      1   0.268102D+01  0.316615D+01 -0.136005D+01 -0.453377D+01 -0.519581D+00
      2  -0.805791D+00 -0.168220D+01  0.891589D+01  0.445671D+01 -0.358762D+01
      3  -0.148605D+01 -0.264479D+01  0.545483D+01  0.144540D+01 -0.314085D+01
               166           167           168           169           170 
      1  -0.226075D+01 -0.384625D+01 -0.136875D+01  0.360860D+00  0.225140D+01
      2   0.428604D+01  0.465914D+01 -0.289874D+01 -0.469376D+01 -0.304767D+01
      3   0.434336D+01  0.195133D+01 -0.211645D+01 -0.275980D+01 -0.607905D+00
               171           172           173           174           175 
      1  -0.203886D-01  0.393125D+01  0.328588D+01  0.210173D+01  0.202595D+01
      2   0.285216D+01 -0.169327D+02 -0.160667D+01 -0.362891D+01 -0.193936D+01
      3   0.223373D+01 -0.690510D+01 -0.201471D+01 -0.243394D+01  0.517729D+00
               176           177           178           179           180 
      1   0.692767D+00  0.218059D+00  0.199183D+01  0.206823D+01  0.239895D+01
      2  -0.163991D+01 -0.577437D+00 -0.674471D+01 -0.555966D+00 -0.362609D+01
      3  -0.116338D+01  0.663540D-01 -0.239030D+01 -0.661917D+00 -0.143626D+01
               181           182           183           184           185 
      1  -0.108063D+01 -0.172016D+01 -0.591547D+00 -0.295099D+01 -0.153744D+02
      2  -0.629534D+00  0.105942D+01  0.620273D+00  0.276214D+01 -0.236700D+00
      3  -0.108136D+01 -0.953585D+00  0.200123D-01  0.306273D+01 -0.855364D+01
               186           187           188           189           190 
      1  -0.143279D+01 -0.405182D+00  0.547171D+00 -0.133220D+01  0.486273D+01
      2   0.194400D+01 -0.838146D+00  0.312748D+00  0.517598D+00  0.406071D+01
      3   0.216650D+01 -0.102699D+00 -0.210064D+00 -0.172523D+00  0.358926D+01
               191           192           193           194           195 
      1  -0.383607D+01 -0.468043D+01 -0.279658D+01  0.226253D+01  0.309666D+01
      2  -0.112025D+01  0.592099D+00 -0.237608D+01  0.181127D+00 -0.126182D+01
      3  -0.348996D+01 -0.322460D+01 -0.145021D+01  0.147564D+01  0.193545D+01
               196           197           198           199           200 
      1  -0.393582D+01  0.442042D+01  0.701954D+01 -0.166771D+01  0.690598D+00
      2  -0.468901D+01 -0.906976D-01 -0.895848D+00  0.298687D+01  0.441419D-01
      3  -0.282617D+01  0.214531D+01  0.367232D+01  0.300578D+01 -0.185130D+01
               201           202           203           204           205 
      1  -0.985634D+00  0.369345D+00 -0.155796D+01  0.124903D+01 -0.124340D+01
      2   0.461727D+01  0.687923D+00  0.336890D+01 -0.614190D+01  0.284405D+01
      3   0.149584D+01 -0.910783D+00  0.221538D+01 -0.380426D+01  0.114489D+01
               206           207           208           209           210 
      1   0.435122D+01 -0.497979D+01  0.168377D+01 -0.785142D+00 -0.914332D+00
      2  -0.515561D+01  0.171518D+02 -0.907971D+01  0.163199D+01  0.917712D+01
      3  -0.557714D+01  0.613943D+01  0.778117D+01 -0.610548D+01 -0.292326D+01
               211           212           213           214           215 
      1  -0.295755D+00  0.784582D+00 -0.287025D+00 -0.165073D+01  0.160138D+01
      2   0.277684D+01 -0.218621D+01 -0.431552D+01  0.744806D+01 -0.258963D+01
      3  -0.455385D+01  0.236604D+01  0.209310D+01 -0.398522D+01  0.443483D+01
               216           217           218           219           220 
      1   0.937503D+00  0.550645D+00  0.318113D+00 -0.414570D+00  0.364930D+00
      2  -0.862870D+01 -0.692909D+00  0.170690D-01  0.182209D+01  0.231664D+00
      3   0.384543D+01 -0.272701D+01 -0.351825D+01 -0.567972D+00 -0.425278D+01
               221           222           223           224           225 
      1   0.260475D+01 -0.369200D+01 -0.511393D+00  0.429050D+00 -0.365726D+00
      2   0.999996D+00  0.379166D+01  0.155324D+01  0.148107D+01  0.109745D+01
      3  -0.226301D+02 -0.162986D+01 -0.989996D+00 -0.156497D+01 -0.138094D+01
               226           227           228           229           230 
      1   0.200171D+01  0.165230D+01 -0.226355D+01  0.135855D+01  0.240633D+01
      2  -0.335799D+01 -0.307358D+01  0.459917D+01 -0.317246D+01 -0.368659D+01
      3  -0.168468D+01 -0.225934D+01  0.656943D+00  0.235334D+01 -0.822455D+01
               231           232           233           234 
      1  -0.352307D+01 -0.153177D+01 -0.336173D+01  0.256321D+01
      2   0.299140D+01  0.320135D+01  0.412259D+01 -0.677515D+01
      3   0.150494D+01  0.331593D+00  0.553655D+01 -0.787671D+00
 Property number 4 -- D-Q polarizability derivatives, frequency  1    0.093368:
                 1             2             3             4             5 
      1  -0.536748D+01 -0.977211D+01 -0.620388D+01 -0.366329D+01 -0.168242D+00
      2   0.520837D+01  0.625743D+01  0.860446D+01  0.183155D+01  0.178325D+01
      3   0.159112D+00  0.351468D+01 -0.240058D+01  0.183174D+01 -0.161500D+01
      4  -0.701635D+01 -0.175009D+02  0.319911D+01 -0.287482D+01 -0.206376D+02
      5  -0.882821D+01  0.972774D+00 -0.160911D+02  0.677140D+01  0.476735D+01
      6  -0.150298D+01  0.731490D+01 -0.243580D+01  0.496270D+01  0.437435D+01
                 6             7             8             9            10 
      1   0.723601D+01 -0.796290D+01  0.785563D+01 -0.129074D+02 -0.636539D+01
      2  -0.238491D+01  0.113351D+02 -0.131969D+00  0.107301D+02  0.589148D+01
      3  -0.485110D+01 -0.337224D+01 -0.772367D+01  0.217735D+01  0.473912D+00
      4   0.782149D+01  0.840864D+01  0.170197D+02 -0.113028D+02 -0.223030D+00
      5   0.119496D+01 -0.197793D+02 -0.515897D+01 -0.862491D+01  0.223216D+01
      6  -0.180895D+01 -0.562711D+01 -0.597382D+01  0.405253D+00  0.784260D+01
                11            12            13            14            15 
      1   0.929596D+01 -0.151769D+01  0.118634D+02  0.193604D+02 -0.273542D+01
      2  -0.130978D+02 -0.598758D+00 -0.142556D+02 -0.408931D+02  0.103554D+01
      3   0.380183D+01  0.211645D+01  0.239223D+01  0.215327D+02  0.169988D+01
      4  -0.120561D+01  0.235392D+01  0.156085D+01 -0.129113D+02 -0.548941D+00
      5   0.143201D+01  0.193465D+01  0.109507D+01 -0.338458D+01  0.649582D+00
      6  -0.164575D+01  0.674883D+01 -0.320870D+01 -0.282502D+01  0.431623D+01
                16            17            18            19            20 
      1  -0.144287D+01 -0.432765D+01  0.138184D+02 -0.191730D+02  0.105162D+02
      2  -0.301683D+01  0.106054D+02  0.833217D+01 -0.675499D+01  0.107992D+02
      3   0.445969D+01 -0.627776D+01 -0.221505D+02  0.259280D+02 -0.213154D+02
      4   0.241305D+01 -0.131362D+01  0.414612D+01  0.548506D+02 -0.385075D+02
      5   0.367744D+01  0.104609D+01  0.299470D+01  0.197409D+02 -0.799267D+01
      6   0.609837D+01  0.195932D+01 -0.161208D+02 -0.103414D+02  0.307583D+01
                21            22            23            24            25 
      1   0.109709D+02  0.210752D+02 -0.175352D+02 -0.817098D+01  0.277619D+00
      2  -0.601504D+01 -0.627573D+00 -0.872030D+01  0.122442D+02 -0.141867D+01
      3  -0.495585D+01 -0.204476D+02  0.262555D+02 -0.407322D+01  0.114105D+01
      4  -0.841591D+01 -0.469152D+02  0.610584D+02 -0.138756D+01 -0.474583D+01
      5  -0.686547D+01 -0.149931D+02  0.347015D+01  0.125306D+02  0.702497D+01
      6   0.864781D+01  0.573918D+01  0.137994D+01 -0.501041D+01  0.173311D+01
                26            27            28            29            30 
      1  -0.334969D+01 -0.429047D+01  0.880422D+01 -0.127677D+02 -0.212976D+02
      2   0.685843D+01 -0.840511D+01  0.529145D+01 -0.713070D+01  0.128346D+02
      3  -0.350875D+01  0.126956D+02 -0.140957D+02  0.198984D+02  0.846295D+01
      4  -0.399580D+01  0.104522D+02 -0.376526D+02  0.446313D+02  0.204102D+02
      5   0.310483D+01 -0.454959D+01 -0.398863D+02  0.176994D+02  0.146931D+02
      6   0.488511D+01 -0.145442D+01  0.205807D+02 -0.134353D+02 -0.801441D+01
                31            32            33            34            35 
      1  -0.138435D+02  0.200370D+02  0.150122D+02 -0.371322D+02  0.253518D+02
      2  -0.115398D+02  0.799264D+01 -0.194201D+02  0.240257D+02 -0.306557D+02
      3   0.253833D+02 -0.280296D+02  0.440789D+01  0.131065D+02  0.530398D+01
      4   0.528073D+02 -0.539513D+02  0.954238D+01  0.170183D+02  0.116018D+02
      5   0.571157D+01  0.971642D+01 -0.961309D+01  0.255888D+02 -0.200969D+02
      6  -0.366365D+01 -0.192485D+02  0.617785D+01 -0.154600D+02  0.155256D+02
                36            37            38            39            40 
      1   0.402828D+01  0.632066D+01 -0.582105D+01  0.244485D+01 -0.911346D+01
      2  -0.361303D+01  0.383931D+01  0.189934D+00 -0.449506D+01 -0.799135D+00
      3  -0.415251D+00 -0.101600D+02  0.563112D+01  0.205021D+01  0.991260D+01
      4  -0.194799D+02 -0.303752D+02  0.116171D+02  0.543481D+01  0.454948D+01
      5  -0.105709D+02 -0.378925D+01  0.927555D+00  0.704738D+00  0.256698D+01
      6  -0.133755D+01  0.493984D+01 -0.711070D+01 -0.386990D+01 -0.727370D+01
                41            42            43            44            45 
      1   0.226195D+02  0.662306D+01  0.123206D+02  0.433803D+01  0.405038D+01
      2  -0.497727D+01 -0.282119D+01 -0.799997D+01 -0.675495D+01 -0.418605D+00
      3  -0.176422D+02 -0.380187D+01 -0.432067D+01  0.241692D+01 -0.363177D+01
      4  -0.837594D+01 -0.133971D+01  0.125965D+02 -0.474344D+01 -0.685580D+01
      5  -0.511227D+01  0.253849D+01 -0.469704D+01  0.286654D+01 -0.153821D+01
      6  -0.234995D+01 -0.182170D+02 -0.235884D+01 -0.147823D+02 -0.952084D+00
                46            47            48            49            50 
      1  -0.140334D+02 -0.442792D+01 -0.121531D+02 -0.202584D+01  0.190300D+01
      2   0.149766D+01  0.211262D+01  0.101327D+02  0.547211D+01 -0.186581D+01
      3   0.125357D+02  0.231530D+01  0.202047D+01 -0.344627D+01 -0.371953D-01
      4   0.324563D+01  0.228575D+01 -0.882847D+01  0.573191D+00  0.181457D+02
      5  -0.123830D+02 -0.178411D+01  0.687553D+01 -0.829668D+00 -0.194930D+01
      6  -0.579604D+01  0.361114D+00  0.383131D+01  0.911118D+00 -0.705623D+01
                51            52            53            54            55 
      1  -0.598067D+01 -0.156587D+02 -0.462655D+01  0.853770D+01 -0.290839D+01
      2  -0.226794D+01  0.117979D+02  0.187458D+01 -0.578700D+01 -0.800576D+01
      3   0.824861D+01  0.386082D+01  0.275197D+01 -0.275070D+01  0.109141D+02
      4  -0.149518D+01 -0.180869D+02  0.641375D+00  0.247460D+01  0.153961D+02
      5  -0.428486D+01  0.838655D+01 -0.399511D+01  0.264030D+01  0.363571D+01
      6   0.190251D+01  0.418256D+01 -0.100296D+01  0.614563D+00 -0.503785D+01
                56            57            58            59            60 
      1   0.230175D+00  0.323812D+01 -0.170312D+01 -0.132002D+02  0.120466D+01
      2   0.127865D+02 -0.471566D+01  0.936241D+01  0.795900D+01 -0.935047D-01
      3  -0.130167D+02  0.147754D+01 -0.765929D+01  0.524124D+01 -0.111115D+01
      4  -0.210135D+02 -0.456424D+01 -0.190410D+02  0.939577D+01  0.537500D+01
      5  -0.308372D+01 -0.817638D+00 -0.503116D+01  0.601131D+01  0.237811D+01
      6  -0.171072D+01 -0.743999D+01  0.452438D+00  0.369609D+01 -0.844422D+00
                61            62            63            64            65 
      1   0.286052D+01  0.381945D+01  0.279410D+01  0.667033D+01  0.999264D+01
      2  -0.253242D+01 -0.872679D+01  0.478690D+01  0.569213D+01 -0.632936D+01
      3  -0.328099D+00  0.490733D+01 -0.758100D+01 -0.123625D+02 -0.366328D+01
      4  -0.214273D+01  0.659798D+01 -0.358140D+01  0.632759D+00 -0.457556D+01
      5   0.100014D+01 -0.755967D+00 -0.159092D+01 -0.489758D+01  0.695452D+01
      6  -0.603211D+01  0.271754D+01  0.103297D+02  0.116093D+02  0.141997D+02
                66            67            68            69            70 
      1  -0.320904D+01  0.146666D+02 -0.945326D+01 -0.179742D+01 -0.944574D+00
      2   0.141683D+02 -0.351947D+01  0.354007D+01 -0.647073D+01  0.114846D+02
      3  -0.109593D+02 -0.111471D+02  0.591318D+01  0.826814D+01 -0.105400D+02
      4   0.649025D+01 -0.275688D+01 -0.349013D+01  0.342461D+01  0.106062D+00
      5  -0.162237D+02  0.220462D+01  0.864854D+01 -0.914183D+01 -0.139145D+02
      6  -0.157309D+01  0.132277D+02 -0.122997D+02  0.222783D+00  0.191519D+01
                71            72            73            74            75 
      1  -0.509016D+01 -0.606596D+01  0.224326D+02  0.221637D+01  0.108562D+02
      2   0.620386D+00 -0.302351D+01 -0.171888D+02 -0.170480D+01 -0.115960D+02
      3   0.446978D+01  0.908947D+01 -0.524378D+01 -0.511570D+00  0.739802D+00
      4   0.500657D+01  0.290371D+01  0.800707D+01  0.886129D+01  0.520033D+01
      5  -0.273028D+01 -0.466953D+01  0.197077D+02  0.295195D+01  0.176220D+02
      6  -0.278119D+01  0.104548D+01  0.229502D+01  0.144909D+01  0.324965D+01
                76            77            78            79            80 
      1  -0.426001D+01  0.121605D+01 -0.247317D+01  0.138118D+02 -0.409416D+00
      2   0.398978D+01 -0.789686D+00  0.322169D+01 -0.146766D+02 -0.173817D+00
      3   0.270228D+00 -0.426363D+00 -0.748520D+00  0.864831D+00  0.583233D+00
      4   0.551952D+01  0.693187D+00  0.237932D+01  0.640608D+01  0.377903D+01
      5  -0.293230D+01  0.353068D+01 -0.226104D+01  0.217258D+02  0.473895D+01
      6   0.189280D+01 -0.100878D+00  0.355976D+01  0.361615D+01  0.476935D+01
                81            82            83            84            85 
      1   0.720119D+01 -0.476778D+00 -0.270604D+01 -0.381525D+00 -0.338911D+01
      2  -0.157794D+02  0.649505D+01  0.844440D+01  0.888396D+00  0.918395D+01
      3   0.857824D+01 -0.601827D+01 -0.573836D+01 -0.506870D+00 -0.579484D+01
      4   0.770222D+01  0.645993D+01  0.128506D+02  0.626279D+00  0.111264D+02
      5   0.253137D+02  0.143053D+01  0.214724D+01  0.179576D+01  0.196274D+01
      6   0.501723D+01  0.765464D+00  0.243389D+01  0.709219D+00  0.306808D+01
                86            87            88            89            90 
      1  -0.378227D+02 -0.331573D+01  0.218866D+00  0.263900D+01 -0.519821D+01
      2   0.700764D+02  0.291083D+01 -0.731795D+00 -0.755291D+01  0.439424D+01
      3  -0.322537D+02  0.404897D+00  0.512929D+00  0.491392D+01  0.803966D+00
      4   0.212405D+02  0.189213D+01 -0.162666D+01 -0.219826D+01  0.134581D+01
      5   0.281277D+01  0.187905D+01  0.884764D+00  0.177384D+01 -0.176232D+00
      6   0.135608D+02  0.891849D+01  0.255170D+00  0.763915D+01  0.123147D+01
                91            92            93            94            95 
      1  -0.977493D+00  0.941575D+00  0.354617D+01 -0.154222D+01 -0.525659D+01
      2  -0.348406D+01 -0.214953D+00  0.136532D+00  0.780568D+00  0.484683D+01
      3   0.446156D+01 -0.726622D+00 -0.368271D+01  0.761653D+00  0.409763D+00
      4  -0.199611D+01  0.277518D+01  0.290754D+01  0.507112D+00  0.218977D-01
      5  -0.194105D+01  0.796160D+00  0.585014D+01 -0.296395D+00 -0.393411D-01
      6   0.227662D+01 -0.229030D+01 -0.464387D+01 -0.893218D+00  0.330216D+01
                96            97            98            99           100 
      1  -0.143980D+01  0.418746D+01 -0.793653D+01 -0.244987D+02  0.598052D+02
      2   0.344217D+01  0.102314D+01  0.317398D+01 -0.127429D+02 -0.276354D+02
      3  -0.200237D+01 -0.521060D+01  0.476255D+01  0.372416D+02 -0.321698D+02
      4  -0.100762D+00  0.355407D+01  0.217746D+00 -0.177531D+00 -0.311799D+02
      5  -0.507822D+00  0.520406D+01  0.607591D+00  0.204661D+01  0.172732D+02
      6   0.456165D+01 -0.265139D+01  0.118451D+02  0.280417D+02 -0.101087D+02
               101           102           103           104           105 
      1  -0.102714D+02  0.146621D+02 -0.434799D+00  0.473998D+01  0.874058D+00
      2   0.100744D+01 -0.735567D+01 -0.380058D+01  0.210754D+01 -0.212627D+00
      3   0.926398D+01 -0.730647D+01  0.423538D+01 -0.684752D+01 -0.661430D+00
      4   0.174060D+02 -0.968499D+01  0.121681D+02 -0.938224D+01 -0.439652D+00
      5  -0.574007D+01  0.112319D+02  0.304362D+01 -0.128687D+01 -0.121546D+00
      6   0.406173D+01 -0.577279D+01 -0.578442D+00  0.166216D+01  0.151548D+01
               106           107           108           109           110 
      1   0.307614D+02 -0.779763D+01  0.782472D+01  0.269743D+01 -0.970517D+01
      2  -0.168547D+02  0.415474D+01 -0.639436D+01  0.252522D+01  0.678785D+01
      3  -0.139067D+02  0.364289D+01 -0.143036D+01 -0.522265D+01  0.291732D+01
      4  -0.139953D+02  0.319813D+01 -0.305188D+01 -0.499342D+01  0.455679D+01
      5   0.881837D+01  0.175185D+00  0.950219D+01  0.175353D+01 -0.261955D+01
      6  -0.361495D+01  0.108057D+01 -0.376639D+01  0.682099D-03  0.596942D+01
               111           112           113           114           115 
      1  -0.243589D+01 -0.371936D+01 -0.244381D+02 -0.986532D+01  0.143074D+01
      2   0.241062D+01 -0.157006D+01  0.410056D+02  0.121494D+02 -0.277661D+01
      3   0.252680D-01  0.528942D+01 -0.165675D+02 -0.228409D+01  0.134586D+01
      4  -0.247782D+01  0.126944D+02 -0.300368D+02 -0.110635D+02  0.173633D+00
      5  -0.101788D+01  0.376223D+01 -0.132224D+02 -0.828032D+01 -0.191106D+00
      6   0.343701D+01 -0.370003D+01  0.213073D+02  0.129086D+02  0.838509D+00
               116           117           118           119           120 
      1  -0.158263D+02 -0.901900D+01 -0.256996D+00 -0.117080D+01 -0.143703D+01
      2   0.205041D+02  0.681059D+01  0.240774D+00  0.430244D+00  0.118107D+00
      3  -0.467773D+01  0.220842D+01  0.162220D-01  0.740559D+00  0.131892D+01
      4  -0.118685D+02 -0.359254D+01  0.240274D+01  0.655828D+01  0.307626D+01
      5  -0.507035D+01 -0.442941D+01  0.877892D+00  0.407037D+01  0.494669D+01
      6   0.109775D+02  0.932472D+01  0.457566D+01  0.173684D+01  0.258505D+01
               121           122           123           124           125 
      1  -0.258239D+01 -0.171201D+02 -0.122865D+02 -0.644357D+00 -0.974270D+01
      2   0.146866D+01  0.142406D+02  0.486345D+01  0.467375D+00  0.263690D+01
      3   0.111372D+01  0.287943D+01  0.742306D+01  0.176982D+00  0.710580D+01
      4   0.626693D+01  0.470290D+01  0.258874D+01  0.103570D+01  0.214601D+01
      5   0.355413D+01  0.129963D+01  0.164890D+01  0.326605D+01  0.128444D+01
      6   0.196816D+01  0.212508D+02  0.180767D+02  0.236052D+01  0.154854D+02
               126           127           128           129           130 
      1  -0.139806D+02  0.110179D+02  0.414759D+01  0.559324D+01  0.562779D+01
      2  -0.103969D+01  0.104943D+02 -0.650381D+01 -0.117507D+02 -0.119897D+02
      3   0.150203D+02 -0.215123D+02  0.235622D+01  0.615748D+01  0.636195D+01
      4   0.304376D+01  0.730242D+01  0.676908D+00  0.372380D+01 -0.103610D+01
      5   0.121104D+01  0.482791D+01 -0.480295D+01 -0.197116D+02 -0.660913D+01
      6   0.153530D+02 -0.365768D+00  0.380062D+01  0.155153D+01  0.530372D+01
               131           132           133           134           135 
      1   0.821620D+01  0.267619D+01  0.621314D+01  0.560290D+01 -0.127427D+02
      2  -0.222546D+02  0.128078D+02 -0.112080D+02  0.505306D+01  0.114583D+02
      3   0.140384D+02 -0.154840D+02  0.499488D+01 -0.106560D+02  0.128430D+01
      4  -0.169765D+02  0.158604D+01  0.529420D+01 -0.178664D+00  0.179358D+01
      5   0.407760D+01  0.950857D+01 -0.192881D+02  0.597165D+01  0.930031D+01
      6   0.197103D+02  0.140032D+01  0.103568D+01  0.525191D+01 -0.125397D+02
               136           137           138           139           140 
      1   0.297822D+01  0.159387D+02  0.227455D+02  0.215499D+02  0.112306D+01
      2   0.101328D+01 -0.117386D+02 -0.112556D+02 -0.192427D+02 -0.138889D+02
      3  -0.399150D+01 -0.420010D+01 -0.114899D+02 -0.230722D+01  0.127658D+02
      4   0.153731D+02 -0.457424D+01  0.209462D+01 -0.106197D+02 -0.335131D+02
      5   0.244678D+02 -0.987315D+00 -0.128731D+02 -0.255896D+01 -0.365028D+01
      6   0.415999D+01 -0.541975D+00 -0.140935D+01 -0.171051D+01 -0.527098D+01
               141           142           143           144           145 
      1  -0.176260D+01  0.289879D+02 -0.190340D+01 -0.171167D+02  0.145527D+02
      2  -0.179254D+01 -0.139285D+02 -0.219182D+01  0.156118D+02  0.355563D+01
      3   0.355515D+01 -0.150594D+02  0.409522D+01  0.150484D+01 -0.181083D+02
      4  -0.329786D+01  0.339718D+01 -0.336836D+01  0.117560D+02 -0.289620D+02
      5   0.146019D+02 -0.187023D+02  0.134548D+02 -0.145356D+02 -0.373725D+01
      6   0.196427D+01 -0.149294D+01  0.259773D+01 -0.100365D+01  0.184482D+01
               146           147           148           149           150 
      1  -0.414074D+01 -0.175111D+01 -0.144275D+01 -0.401518D+01 -0.614287D+00
      2  -0.112933D+02  0.104577D+00 -0.109698D+02  0.211694D+02  0.283791D+01
      3   0.154341D+02  0.164653D+01  0.124126D+02 -0.171542D+02 -0.222362D+01
      4   0.264042D+02  0.359856D+01  0.222304D+02 -0.251640D+02 -0.330668D+01
      5   0.216341D+01  0.545391D+01  0.179590D+01 -0.256821D+01 -0.260056D+01
      6  -0.160657D+01 -0.326414D+01 -0.136213D+01  0.247314D+01  0.610764D+01
               151           152           153           154           155 
      1  -0.148474D+01 -0.766919D+00 -0.108154D+01  0.152465D+01  0.103364D+01
      2   0.809694D-01  0.345990D+01  0.208730D+01 -0.116028D+02  0.563545D-01
      3   0.140377D+01 -0.269298D+01 -0.100575D+01  0.100782D+02 -0.108999D+01
      4   0.356953D+01 -0.367459D+01 -0.500367D+01 -0.531625D+01  0.378888D+01
      5   0.525932D+01 -0.392463D+01 -0.205390D+01  0.194310D+02 -0.452510D+01
      6  -0.362744D+01  0.720557D+01  0.105987D+01 -0.890352D+01  0.462207D+01
               156           157           158           159           160 
      1  -0.318335D+01 -0.211687D+01 -0.142321D+01  0.170842D+01 -0.132673D+01
      2  -0.125356D+02 -0.571289D+00 -0.903515D+00 -0.173887D+01 -0.108322D+02
      3   0.157190D+02  0.268816D+01  0.232673D+01  0.304510D-01  0.121589D+02
      4  -0.467547D+01  0.408413D+01 -0.180145D+01  0.280756D+01 -0.356196D+01
      5   0.186102D+02 -0.101507D+01  0.340353D+01 -0.804105D+00  0.163525D+02
      6  -0.885181D+01  0.235695D+01 -0.223587D+01  0.674039D+01 -0.604259D+01
               161           162           163           164           165 
      1   0.411071D+01 -0.111245D+02 -0.280429D+01 -0.744546D+01  0.826656D+01
      2   0.576554D+00 -0.155162D+02 -0.143782D+01  0.449259D+01  0.138114D+01
      3  -0.468726D+01  0.266407D+02  0.424211D+01  0.295287D+01 -0.964770D+01
      4   0.264485D+01 -0.395777D+01  0.826678D+01  0.795483D+01 -0.653108D+01
      5  -0.290400D+01  0.193586D+02 -0.111290D+02 -0.722918D+01  0.119710D+02
      6   0.767094D+01 -0.121332D+02 -0.928926D+01 -0.131588D+02  0.121484D+02
               166           167           168           169           170 
      1  -0.466188D+01 -0.985679D+01  0.888246D+01  0.370068D+01  0.735066D+01
      2   0.267970D+01  0.935405D+01 -0.133957D+01  0.608065D+00 -0.458159D+00
      3   0.198219D+01  0.502744D+00 -0.754289D+01 -0.430874D+01 -0.689250D+01
      4   0.720693D+01  0.589811D+01 -0.453327D+01 -0.428230D+01 -0.385173D+01
      5  -0.543902D+01 -0.658291D+01  0.513230D+01  0.847854D+01  0.449380D+01
      6  -0.825548D+01 -0.136052D+02  0.141502D+02  0.588419D+01  0.116749D+02
               171           172           173           174           175 
      1  -0.104961D+02 -0.458257D+01  0.108672D+01 -0.991247D+01 -0.737400D+00
      2  -0.307495D+01 -0.436718D+01 -0.897044D+00 -0.390810D+01  0.101381D+01
      3   0.135710D+02  0.894974D+01 -0.189676D+00  0.138206D+02 -0.276414D+00
      4   0.429843D+01 -0.864642D+01  0.448082D+00 -0.218754D+01  0.123055D+01
      5  -0.739087D+01  0.132847D+02  0.161107D+01  0.769784D+01  0.199787D+01
      6  -0.139158D+02 -0.110093D+00  0.426569D+01 -0.511969D+01  0.202972D+01
               176           177           178           179           180 
      1  -0.231220D+01 -0.686700D+00 -0.546954D+01 -0.377370D+00 -0.632569D+01
      2   0.271291D+01 -0.269375D+01 -0.240548D+01 -0.127147D+01 -0.596321D+01
      3  -0.400707D+00  0.338045D+01  0.787502D+01  0.164884D+01  0.122889D+02
      4   0.101427D+01  0.887794D-01 -0.286128D+01  0.511405D+00 -0.263728D+01
      5   0.160369D+01 -0.170197D+01  0.915289D+01 -0.138765D+00  0.488976D+01
      6  -0.151729D+01  0.195221D+01 -0.194790D+01  0.232887D+01 -0.180119D+01
               181           182           183           184           185 
      1  -0.357658D+00  0.127998D+01 -0.373447D+00 -0.384044D+00 -0.200067D+02
      2   0.149987D+01  0.173384D+01  0.149616D+01  0.499071D+01  0.364682D+02
      3  -0.114222D+01 -0.301382D+01 -0.112271D+01 -0.460666D+01 -0.164615D+02
      4   0.415800D+01  0.773389D+01 -0.213051D+01  0.103724D+02  0.204787D+02
      5  -0.247475D+01 -0.306630D+01  0.484623D+01 -0.440563D+01 -0.559440D+01
      6  -0.293232D+01 -0.313217D+01  0.115792D+01 -0.573527D+01 -0.288188D+02
               186           187           188           189           190 
      1   0.778078D+01  0.347067D+00  0.176993D+01 -0.198545D+01  0.846140D+01
      2  -0.487819D+01  0.170807D+01  0.141558D+01  0.125040D+01 -0.163458D+02
      3  -0.290259D+01 -0.205513D+01 -0.318551D+01  0.735053D+00  0.788439D+01
      4  -0.493842D+01  0.164439D+00  0.567937D+00  0.194301D+01  0.233148D+01
      5   0.412774D+01  0.301315D+01  0.123556D+01 -0.163154D+01 -0.221294D+02
      6   0.134875D+02  0.102022D+01  0.599503D+01 -0.241206D+01 -0.157528D+00
               191           192           193           194           195 
      1  -0.216837D+01 -0.765111D+00 -0.328775D+01 -0.604583D+00 -0.176891D+01
      2   0.366271D+01  0.158118D+02  0.669582D+01 -0.915917D+00 -0.841163D+01
      3  -0.149434D+01 -0.150467D+02 -0.340806D+01  0.152050D+01  0.101805D+02
      4   0.374285D+01 -0.303975D+01  0.269258D+01 -0.905073D+00 -0.269212D+01
      5   0.271734D+01  0.235861D+02  0.837672D+01 -0.543059D+01 -0.949091D+01
      6  -0.533348D+01  0.193012D+01 -0.419094D+01  0.219534D+01  0.464257D+01
               196           197           198           199           200 
      1  -0.147708D+01 -0.415239D+00 -0.608951D+01  0.841867D+01 -0.430599D+01
      2   0.131774D+02 -0.363675D+01 -0.212272D+02 -0.754522D+01  0.317337D+01
      3  -0.117004D+02  0.405199D+01  0.273167D+02 -0.873447D+00  0.113263D+01
      4  -0.224428D+01 -0.274534D+01  0.155500D+01 -0.337341D+01  0.264840D+01
      5   0.195825D+02 -0.315407D+01 -0.249667D+02  0.839200D+01 -0.295426D+01
      6   0.562200D+00  0.526658D+01 -0.712647D+00 -0.557216D+00  0.533491D+00
               201           202           203           204           205 
      1   0.584817D+01 -0.991337D+01  0.771752D+00 -0.179202D+01  0.128041D+02
      2  -0.602065D+01  0.673698D+01 -0.912614D-01  0.369914D+01 -0.108746D+02
      3   0.172481D+00  0.317639D+01 -0.680491D+00 -0.190712D+01 -0.192955D+01
      4  -0.148978D+01  0.398890D+01 -0.198322D+01  0.565674D+01  0.205517D+00
      5   0.131917D+02 -0.519198D+01  0.544912D+01 -0.999081D+01  0.200871D+02
      6   0.533346D+00  0.651106D+00 -0.141894D+01  0.218789D+01  0.217825D+01
               206           207           208           209           210 
      1  -0.404199D+00  0.626139D+01  0.504575D+02 -0.856185D+01 -0.171477D+02
      2   0.338105D+01 -0.166186D+02 -0.274643D+02  0.534572D+01  0.981869D+01
      3  -0.297685D+01  0.103573D+02 -0.229932D+02  0.321614D+01  0.732898D+01
      4   0.794567D+01 -0.511905D+01 -0.269473D+01  0.826273D+01  0.110547D+01
      5  -0.698895D+01  0.325081D+02 -0.185224D+02  0.288010D+01  0.149630D+02
      6   0.306881D+01  0.300130D+01 -0.183855D+01 -0.111198D+00  0.164396D+01
               211           212           213           214           215 
      1  -0.183774D+02  0.665494D+01  0.444251D+01 -0.318521D+02  0.348233D+01
      2   0.108188D+02 -0.179142D+01 -0.258625D+01  0.182876D+02 -0.231860D+01
      3   0.755852D+01 -0.486351D+01 -0.185625D+01  0.135644D+02 -0.116373D+01
      4   0.988588D+01 -0.274216D+01 -0.395541D+01 -0.593969D+00 -0.664827D+01
      5   0.576464D+01 -0.381795D+01 -0.721953D+01  0.199907D+02 -0.464941D+01
      6  -0.563567D+00  0.142113D+01  0.116766D+01  0.152844D+01  0.123116D+01
               216           217           218           219           220 
      1   0.135158D+02  0.604634D+01  0.532282D+01 -0.127830D+01  0.101780D+02
      2  -0.113111D+02  0.778145D-01 -0.404636D+00  0.980362D+00  0.346339D+01
      3  -0.220469D+01 -0.612415D+01 -0.491819D+01  0.297942D+00 -0.136414D+02
      4  -0.272794D+01  0.775134D+01  0.114375D+02  0.108406D+01  0.254312D+02
      5  -0.161846D+02 -0.734715D+00  0.169075D+01  0.300440D+01  0.388068D+01
      6  -0.126201D+01  0.774619D+00  0.897566D+00  0.299817D+00  0.315784D+01
               221           222           223           224           225 
      1  -0.467658D+01  0.235182D+00 -0.292653D+01 -0.289363D+00  0.101908D+01
      2   0.256098D+02  0.737005D+00  0.133707D+01  0.862570D+00  0.232182D+00
      3  -0.209333D+02 -0.972187D+00  0.158946D+01 -0.573207D+00 -0.125126D+01
      4   0.464499D+02  0.413043D+01  0.111217D+01  0.284422D+01  0.401745D+01
      5   0.429497D+01  0.662459D+01  0.578475D+01  0.393575D+01  0.278938D+01
      6   0.738209D+01  0.674380D+01  0.239787D+01  0.572816D+01  0.139072D+01
               226           227           228           229           230 
      1   0.153311D+02  0.107714D+02 -0.483982D+01  0.748302D+01  0.240444D+01
      2  -0.559790D+01 -0.271967D+01  0.121802D+01 -0.932647D-01  0.591230D+01
      3  -0.973315D+01 -0.805172D+01  0.362181D+01 -0.738975D+01 -0.831674D+01
      4   0.183833D+02  0.210020D+02 -0.620803D+01  0.145092D+02  0.249034D+02
      5  -0.638844D+01 -0.315784D+01  0.759774D+01 -0.318572D+01 -0.644670D+01
      6  -0.472418D+01 -0.464499D+01  0.392089D+01 -0.437229D+01 -0.589656D+01
               231           232           233           234 
      1  -0.270040D+01 -0.974205D+01 -0.377165D+01  0.522060D+01
      2  -0.140852D+01  0.378081D+01 -0.201862D+01 -0.342985D+01
      3   0.410892D+01  0.596124D+01  0.579027D+01 -0.179075D+01
      4  -0.798052D+01 -0.113139D+02 -0.201358D+02  0.100557D+02
      5   0.320361D+01  0.945554D+01  0.701021D+01 -0.942823D+01
      6   0.615242D+01  0.538078D+01  0.790099D+01 -0.633183D+01

 ----------------------------------------------------------------------

 Electric dipole moment (input orientation):
 (Debye = 10**-18 statcoulomb cm , SI units = C m)
                  (au)            (Debye)         (10**-30 SI)
   Tot        0.286513D+00      0.728243D+00      0.242916D+01
   x         -0.168839D+00     -0.429147D+00     -0.143148D+01
   y          0.226577D+00      0.575901D+00      0.192100D+01
   z          0.473898D-01      0.120453D+00      0.401787D+00

 Dipole polarizability, Alpha (input orientation).
 (esu units = cm**3 , SI units = C**2 m**2 J**-1)
 Alpha(0;0):
               (au)            (10**-24 esu)      (10**-40 SI)
   iso        0.112325D+03      0.166448D+02      0.185199D+02
   aniso      0.232743D+02      0.344890D+01      0.383742D+01
   xx         0.122601D+03      0.181675D+02      0.202141D+02
   yx        -0.680292D+01     -0.100809D+01     -0.112165D+01
   yy         0.114486D+03      0.169651D+02      0.188763D+02
   zx         0.723190D+00      0.107166D+00      0.119238D+00
   zy         0.113236D+01      0.167799D+00      0.186701D+00
   zz         0.998872D+02      0.148018D+02      0.164692D+02

 Dipole polarizability, Alpha (input orientation).
 (esu units = cm**3 , SI units = C**2 m**2 J**-1)
 Alpha(-w;w) w=  488.0nm:
                  (au)         (10**-24 esu)      (10**-40 SI)
   iso        0.115801D+03      0.171599D+02      0.190930D+02
   aniso      0.246198D+02      0.364828D+01      0.405926D+01
   xx         0.126162D+03      0.186952D+02      0.208012D+02
   yx        -0.786811D+01     -0.116593D+01     -0.129728D+01
   yy         0.118265D+03      0.175251D+02      0.194993D+02
   zx         0.213566D+00      0.316472D-01      0.352123D-01
   zy         0.107159D+01      0.158793D+00      0.176681D+00
   zz         0.102976D+03      0.152595D+02      0.169785D+02

 ----------------------------------------------------------------------

 Dipole orientation:
     6          3.33100666          1.44816817         -0.61672476
     6          2.77415654          0.63443705          2.14191318
     6          1.13438583          0.99788014         -2.40675749
     6          1.42459406          0.70720937         -4.88421922
     6         -1.38923463          0.90353706         -1.12383393
     6         -1.41208659         -1.34937142          0.82114988
     6         -0.06958325          0.54123161          2.65117599
     6         -1.37968134          2.71407979          1.18912524
     1          5.03469097          0.53452756         -1.33097481
     1          3.66353713          1.97073413          3.43941300
     1          3.60920599         -1.20909455          2.54050336
     1          3.27635778          0.71341487         -5.75842682
     1         -0.18634061          0.46131706         -6.12263668
     1         -2.94951664          1.00303233         -2.46655509
     6         -0.07228597         -3.78657803          0.09461033
     6         -4.09007279         -1.98614496          1.69035016
     1         -0.47404998          0.33014532          4.66334082
     1         -3.27255609          3.11748811          1.87343031
     1         -0.35499570          4.48996516          0.99710201
     1          1.82453921         -3.48426918         -0.63741466
     1         -1.13875948         -4.77312340         -1.37294088
     1          0.06148988         -5.04786272          1.72557715
     1         -5.17006994         -0.32631715          2.25201642
     1         -4.02811122         -3.26930168          3.30780736
     1         -5.13111708         -2.93281434          0.17910265
     1          3.72850942          3.47546463         -0.63009167

 Electric dipole moment (dipole orientation):
 (Debye = 10**-18 statcoulomb cm , SI units = C m)
                  (au)            (Debye)         (10**-30 SI)
   Tot        0.286513D+00      0.728243D+00      0.242916D+01
   x          0.000000D+00      0.000000D+00      0.000000D+00
   y          0.000000D+00      0.000000D+00      0.000000D+00
   z          0.286513D+00      0.728243D+00      0.242916D+01

 Dipole polarizability, Alpha (dipole orientation).
 (esu units = cm**3 , SI units = C**2 m**2 J**-1)
 Alpha(0;0):
               (au)            (10**-24 esu)      (10**-40 SI)
   iso        0.112325D+03      0.166448D+02      0.185199D+02
   aniso      0.232743D+02      0.344890D+01      0.383742D+01
   xx         0.110728D+03      0.164082D+02      0.182566D+02
   yx         0.550057D+01      0.815101D+00      0.906922D+00
   yy         0.102846D+03      0.152401D+02      0.169569D+02
   zx        -0.651804D+01     -0.965875D+00     -0.107468D+01
   zy        -0.532585D+00     -0.789209D-01     -0.878113D-01
   zz         0.123401D+03      0.182861D+02      0.203460D+02

 Dipole polarizability, Alpha (dipole orientation).
 (esu units = cm**3 , SI units = C**2 m**2 J**-1)
 Alpha(-w;w) w=  488.0nm:
                  (au)         (10**-24 esu)      (10**-40 SI)
   iso        0.115801D+03      0.171599D+02      0.190930D+02
   aniso      0.246198D+02      0.364828D+01      0.405926D+01
   xx         0.113112D+03      0.167614D+02      0.186496D+02
   yx         0.540946D+01      0.801600D+00      0.891900D+00
   yy         0.106130D+03      0.157269D+02      0.174985D+02
   zx        -0.675008D+01     -0.100026D+01     -0.111294D+01
   zy        -0.674898D+00     -0.100010D+00     -0.111276D+00
   zz         0.128161D+03      0.189915D+02      0.211309D+02

 ----------------------------------------------------------------------
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 KNOWING HOW CONTENTED, FREE, AND JOYFUL IS LIFE IN
 THE REALMS OF SCIENCE, ONE FERVENTLY WISHES THAT
 MANY WOULD ENTER HER PORTALS.
   --  DMITRI IVANOVICH MENDELEEV
 "FIRST PRINCIPLES OF CHEMISTRY", LONGMANS, GREEN,
 AND CO.  LONDON, 1891
 Job cpu time:       0 days  4 hours  5 minutes  5.6 seconds.
 Elapsed time:       0 days  0 hours 20 minutes 29.4 seconds.
 File lengths (MBytes):  RWF=    292 Int=      0 D2E=      0 Chk=     13 Scr=      2
 Normal termination of Gaussian 16 at Thu Jul 22 20:09:20 2021.
